SCHEMBL4132784

SCHEMBL4132784

Nc1cc(Cl)cnc1C=CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 8/20 0.51
NPSR1 Q6W5P4 2/20 0.37
CYP3A4 P08684 2/20 0.36
P4HTM Q9NXG6 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.34
BLM P54132 1/20 0.34
TSHR P16473 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
STAT1 P42224 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4132779 1.00 PLAU (0.51) PLAUNPSR1CYP3A4P4HTMRAB9A
SCHEMBL15744783 0.81 KDM4E (0.41) PLAUKDM4EHCAR2LMNAALDH1A1
SCHEMBL3518552 0.80 NPSR1 (0.37) PLAUNPSR1CYP3A4P4HTMRAB9A
SCHEMBL3518547 0.80 NPSR1 (0.37) PLAUNPSR1CYP3A4P4HTMRAB9A
SCHEMBL10313842 0.78 ALDH1A1 (0.45) NPSR1CYP3A4RAB9AL3MBTL1ALDH1A1
SCHEMBL6433031 0.77 PLAU (0.62) PLAUNPSR1P4HTMRAB9AITGB2
SCHEMBL6433026 0.77 PLAU (0.62) PLAUNPSR1P4HTMRAB9AITGB2
SCHEMBL4132887 0.76 THRB (0.45) KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL4132881 0.76 THRB (0.45) KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13952587 0.76 IDO1 (0.32) PLAULMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2020-08-18 US disclosed
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2019-09-26 US disclosed
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-03-05 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 US disclosed
EP-3303318-A1 BENZOXAZINONE DERIVATIVES AND ANALOGUES THEREOF AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2018-04-11 EP disclosed
US-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2018-02-01 US disclosed
US-9809561-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
WO-2016198400-A1 BENZOXAZINONE DERIVATIVES AND ANALOGUES THEREOF AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2016-12-15 WO disclosed
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8729095-B2 3-(biaryloxy)propionic acid derivatives for prevention and/or treatment of thromboembolic diseases DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-20 US disclosed
WO-2013188724-A1 AZETIDINE AND PIPERIDINE COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2013-12-19 WO disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120245152-A1 3-(BIARYOXY)PROPIONIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-09-27 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
EP-2471792-A1 3-(BIARYLOXY) PROPIONIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-07-04 EP disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC PLAU 4296/4885NPSR1 357/4885CYP3A4 117/4885
US-20120245152-A1 3-(BIARYOXY)PROPIONIC ACID DERIVATIVE F11, PF4, F2 PLAU 347/4885NPSR1 651/4885CYP3A4 697/4885
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A PLAU 4457/4885NPSR1 1482/4885CYP3A4 921/4885
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC PLAU 4296/4885NPSR1 357/4885CYP3A4 117/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA PLAU 2951/4885NPSR1 427/4885CYP3A4 1808/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC PLAU 4296/4885NPSR1 357/4885CYP3A4 117/4885
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC PLAU 4296/4885NPSR1 357/4885CYP3A4 117/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 PLAU 4592/4885NPSR1 3061/4885CYP3A4 1411/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 PLAU 4600/4885NPSR1 3297/4885CYP3A4 1362/4885
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC PLAU 4342/4885NPSR1 369/4885CYP3A4 114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.