SCHEMBL2884485

SCHEMBL2884485

COC(=O)c1ccc2nnn(C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.53
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 3/20 0.48
AHR P35869 1/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CHRM4 P08173 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL2876917 0.88 HCAR3 (0.69) HCAR3MAPTPOLBHPGDAHR
SCHEMBL31132754 0.84 PDE2A (0.50) HCAR3MAPTHPGDRAB9ANPC1
SCHEMBL12349868 0.82 HCAR3 (0.57) HCAR3MAPTPOLBHPGDRAB9A
SCHEMBL1256199 0.82 HCAR3 (0.76) HCAR3MAPTPOLBHPGDRAB9A
SCHEMBL12421884 0.81 NPC1 (0.49) HCAR3MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL29751355 0.81 HCAR3 (0.55) HCAR3MAPTPOLBHPGDRAB9A
SCHEMBL6184141 0.81 HCAR3 (0.56) HCAR3MAPTPOLBRAB9ANPC1
SCHEMBL4066629 0.80 MAPT (0.49) HCAR3MAPTPOLBHPGDAHR
SCHEMBL4066635 0.80 HPGD (0.51) HCAR3MAPTPOLBHPGDAHR
SCHEMBL15687432 0.77 MAPT (0.53) HCAR3MAPTPOLBHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858877-A C-linked inhibitors of ENL/AF9 YEATS 桥梁药品有限公司 2024-04-09 CN disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
CN-1681811-B Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS 2010-05-26 CN disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
CN-1681811-A Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS (AN) 2005-10-12 CN disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
EP-1247810-B1 Novel benzotriazoles anti-inflammatory compounds PFIZER PROD INC (US) 2005-09-07 EP disclosed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 WO disclosed
US-6664395-B2 Benzotriazole compoundsn are the potent inhibitors of MAP kinases, preferably p38 kinase. They are useful for treating inflammation, osteoarthritis, rheumatoid arthritis, cancer, reperfusion, ischemia PFIZER INC 2003-12-16 US disclosed
US-20030078432-A1 Novel benzotriazoles anti-inflammatory compounds PFIZER INC. 2003-04-24 US disclosed
EP-1247810-A1 Novel benzotriazoles anti-inflammatory compounds Pfizer Products Inc. (US) 2002-10-09 EP disclosed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 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 (4 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX HCAR3 4020/4885MAPT 3408/4885POLB 3004/4885
US-20030078432-A1 Novel benzotriazoles anti-inflammatory compounds MAPK1, JAK1, RUNX1 HCAR3 495/4885MAPT 2726/4885POLB 3146/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 HCAR3 2669/4885MAPT 4185/4885POLB 1875/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B HCAR3 3887/4885MAPT 3523/4885POLB 3117/4885

“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.