SCHEMBL110012

SCHEMBL110012

Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 2/20 0.68
TP53 P04637 2/20 0.68
CYP3A4 P08684 2/20 0.68
HPGD P15428 2/20 0.68
HIF1A Q16665 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
HSD17B10 Q99714 1/20 0.68
ABCC4 O15439 1/20 0.68
HPGDS O60760 1/20 0.68
ABCB11 O95342 1/20 0.68
PKM P14618 1/20 0.68
ALOX12 P18054 1/20 0.68

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
SCHEMBL2779401 1.00 MEN1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13556323 0.90 TRPA1 (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12723664 0.90 TRPA1 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15396458 0.89 TRPA1 (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16272334 0.89 TRPA1 (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL111095 0.88 SMN1; SMN2 (0.74) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28809030 0.88 TRPM2 (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16272299 0.88 TRPA1 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28809027 0.88 TRPM2 (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15396755 0.87 MMP1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140072584-A1 NOVEL PHARMACEUTICAL USE OF BENZOIC ACID DERIVATIVES LI, YINGJI (CN) 2014-03-13 US claimed
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS NUON THERAPEUTICS, INC. (US) 2010-06-24 US claimed
EP-2173167-A2 TREATMENT OF NEUROPATHIC PAIN Nuon Therapeutics, Inc. (US) 2010-04-14 EP claimed
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY & MEDICINE (GB) 2010-02-18 US claimed
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME EBERHARD-KARLS-UNIVERSITAET TUEBINGEN UNIVERSITAETSKLINIKUM 2009-12-17 US claimed
US-20090197957-A1 Methods and compositions for the treatment of pain NUON THERAPEUTICS, INC. 2009-08-06 US claimed
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN NUON THERAPEUTICS INC. 2009-02-12 US claimed
WO-2009008997-A2 TREATMENT OF NEUROPATHIC PAIN NUON THERAPEUTICS, INC. (US) 2009-01-15 WO claimed
US-20080103204-A1 Method of modulating cellular activity and agents useful for same EBERHARD-KARLS-UNIVERSITAT TUBINGEN (DE) 2008-05-01 US claimed
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY LIMITED (AU) 2008-01-10 US claimed
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 US disclosed
US-9839640-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2017-12-12 US disclosed
US-20080103204-A1 Method of modulating cellular activity and agents useful for same EBERHARD-KARLS-UNIVERSITAT TUBINGEN (DE) 2008-05-01 US disclosed
EP-1845967-A4 A METHOD OF MODULATING T CELL FUNCTIONING UNIV LELAND STANFORD JUNIOR (US) 2008-03-05 EP disclosed
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY LIMITED (AU) 2008-01-10 US disclosed
EP-1845967-A2 A METHOD OF MODULATING T CELL FUNCTIONING The Board of Trustees of Leland Stanford Junior University (US) 2007-10-24 EP disclosed
WO-2006076580-A2 A METHOD OF MODULATING T CELL FUNCTIONING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-07-20 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 (11 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-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MEN1 3939/4885KMT2A 2447/4885NPC1 4173/4885
US-20080103204-A1 Method of modulating cellular activity and agents useful for same NLN, GAP43, CYBB MEN1 3828/4885KMT2A 3579/4885NPC1 2749/4885
US-20140072584-A1 NOVEL PHARMACEUTICAL USE OF BENZOIC ACID DERIVATIVES NFATC1, GABRA5, GABRA6 MEN1 4643/4885KMT2A 2566/4885NPC1 1973/4885
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS XDH, SLC10A1, SLC10A6 MEN1 1944/4885KMT2A 3365/4885NPC1 108/4885
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING IFNG, CD4, IDO1 MEN1 3959/4885KMT2A 1759/4885NPC1 4332/4885
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MEN1 3939/4885KMT2A 2447/4885NPC1 4173/4885
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MEN1 3939/4885KMT2A 2447/4885NPC1 4173/4885
US-20090197957-A1 Methods and compositions for the treatment of pain OPRL1, OPRK1, ACHE MEN1 3723/4885KMT2A 1934/4885NPC1 1567/4885
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN OPRL1, GAP43, AANAT MEN1 3473/4885KMT2A 1821/4885NPC1 1854/4885
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING KYNU, IDO1, IDO2 MEN1 3204/4885KMT2A 1427/4885NPC1 4593/4885
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME NLN, GAP43, CYBB MEN1 3828/4885KMT2A 3579/4885NPC1 2749/4885

“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.