SCHEMBL7711231

SCHEMBL7711231

COC(=O)CC1CNc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
PKM P14618 2/20 0.39
AKR1B1 P15121 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
GLA P06280 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36

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
SCHEMBL16823624 1.00 USP2 (0.41) USP2GAAALDH1A1MEN1KMT2A
SCHEMBL6860121 0.86 AKR1B1 (0.43) GAAALDH1A1MEN1KMT2AAKR1B1
SCHEMBL3948500 0.82 PNMT (0.44) GAAALDH1A1MEN1KMT2AAKR1B1
SCHEMBL20786046 0.82 PNMT (0.44) GAAALDH1A1MEN1KMT2AAKR1B1
SCHEMBL16823947 0.82 PNMT (0.44) GAAALDH1A1MEN1KMT2AAKR1B1
SCHEMBL3354070 0.81 USP2 (0.44) USP2GAAALDH1A1POLB
SCHEMBL16851256 0.81 USP2 (0.44) USP2GAAMEN1KMT2A
SCHEMBL11305107 0.78 HPGD (0.51) USP2GAAALDH1A1MEN1KMT2A
SCHEMBL5802223 0.77 GAA (0.69) USP2GAAALDH1A1MEN1KMT2A
SCHEMBL5582527 0.77 ALDH1A1 (0.48) GAAALDH1A1MEN1KMT2AMAPT

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 17 patents. 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-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-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
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
US-9783511-B2 Carbamate benzoxazine propionic acids and acid derivatives for modulation of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-10-10 US disclosed
US-9783511-B2 Carbamate benzoxazine propionic acids and acid derivatives for modulation of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-10-10 US disclosed
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-27 US disclosed
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-27 US 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
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
WO-2015095792-A1 CARBAMATE BENZOXAXINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORGAMMA ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095795-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE, AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095795-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE, AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US 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 (6 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 USP2 4391/4885GAA 1111/4885ALDH1A1 696/4885
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC USP2 691/4885GAA 1046/4885ALDH1A1 350/4885
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC USP2 4391/4885GAA 1111/4885ALDH1A1 696/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC USP2 4391/4885GAA 1111/4885ALDH1A1 696/4885
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC USP2 4391/4885GAA 1111/4885ALDH1A1 696/4885
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC USP2 4395/4885GAA 1074/4885ALDH1A1 722/4885

“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.