SCHEMBL5010608

SCHEMBL5010608

COc1ccc(C(N)=O)c(OC)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
NNMT P40261 4/20 0.69
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PLAU P00749 1/20 0.47
F10 P00742 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL428407 0.84 NNMT (0.53) POLBTDP1NNMTRAB9ANPC1
SCHEMBL8443874 0.83 POLB (0.73) POLBTDP1NNMTRAB9ANPC1
SCHEMBL29859234 0.83 TDP1 (1.00) POLBTDP1NNMTRAB9ANPC1
SCHEMBL198490 0.83 TDP1 (1.00) POLBTDP1NNMTRAB9ANPC1
SCHEMBL31141991 0.83 POLB (0.73) POLBTDP1NNMTRAB9ANPC1
SCHEMBL5013567 0.81 NNMT (0.54) POLBTDP1NNMTHPGDALDH1A1
SCHEMBL29903108 0.81 NNMT (0.54) POLBTDP1NNMTHPGDALDH1A1
SCHEMBL29421563 0.81 NNMT (1.00) POLBTDP1NNMTRAB9ANPC1
Hydrochloric Acid SCHEMBL10988320 0.81 TDP1 (0.96) POLBTDP1NNMTRAB9ANPC1
SCHEMBL3864064 0.81 POLB (0.71) POLBTDP1NNMTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP claimed
WO-2007024744-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS, INC. (US) 2007-03-01 WO claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP claimed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-11214548-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2022-01-04 US disclosed
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2021-06-24 US disclosed
EP-3621619-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VISCERAL PAIN Arena Pharmaceuticals, Inc. (US) 2020-03-18 EP disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 US disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO 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 (8 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 POLB 3619/4885TDP1 2846/4885NNMT 1406/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 POLB 3619/4885TDP1 2846/4885NNMT 1406/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL POLB 3038/4885TDP1 2797/4885NNMT 2977/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 POLB 2796/4885TDP1 2102/4885NNMT 4349/4885
US-11214548-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 POLB 2796/4885TDP1 2102/4885NNMT 4349/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 POLB 2847/4885TDP1 2834/4885NNMT 4522/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 POLB 4185/4885TDP1 4101/4885NNMT 2130/4885
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 POLB 2796/4885TDP1 2102/4885NNMT 4349/4885

“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.