SCHEMBL4139975

SCHEMBL4139975

O=Cc1ccc(-c2cccs2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
MAPK10 P53779 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FYN P06241 3/20 0.42

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
SCHEMBL15009994 0.79 DPP4 (0.43) HPGDSCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL1356310 0.77 ALDH1A1 (0.44) CYP11B1KDM4EALDH1A1L3MBTL1HSD17B10
SCHEMBL27891268 0.76 HPGDS (0.42) HPGDSCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL10408880 0.76 KDM4E (0.52) HPGDSCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL12727899 0.76 KDM4E (0.52) HPGDSCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL31607175 0.75 ALDH1A1 (0.43) CYP11B1KDM4EALDH1A1L3MBTL1HSD17B10
SCHEMBL31607177 0.75 ALDH1A1 (0.43) CYP11B1KDM4EALDH1A1L3MBTL1HSD17B10
SCHEMBL31607172 0.75 ALDH1A1 (0.43) CYP11B1KDM4EALDH1A1L3MBTL1HSD17B10
SCHEMBL9937552 0.75 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL4149216 0.74 KDM4E (0.50) HPGDSCYP11B1CYP11B2KDM4EALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 WO disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 US disclosed
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 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 (5 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-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 HPGDS 1221/4885CYP11B1 2397/4885CYP11B2 2749/4885
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 HPGDS 3666/4885CYP11B1 3405/4885CYP11B2 3607/4885
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses HRH3, HRH4, HCRTR1 HPGDS 1002/4885CYP11B1 1967/4885CYP11B2 2374/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 HPGDS 4378/4885CYP11B1 696/4885CYP11B2 724/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 HPGDS 4301/4885CYP11B1 582/4885CYP11B2 643/4885

“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.