SCHEMBL2779110

SCHEMBL2779110

Cc1cccc(C=CC(=O)Nc2ccccc2C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
TP53 P04637 3/20 0.65
CYP3A4 P08684 3/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65
HIF1A Q16665 2/20 0.65
KDM4E B2RXH2 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2C19 P33261 2/20 0.65
CYP2C9 P11712 1/20 0.65
HSD17B10 Q99714 1/20 0.65
ABCC4 O15439 1/20 0.65
HPGDS O60760 1/20 0.65
ABCB11 O95342 1/20 0.65
PKM P14618 1/20 0.65
ALOX12 P18054 1/20 0.65

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
SCHEMBL2779107 1.00 MEN1 (0.65) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2779276 0.86 MMP1 (0.75) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2779279 0.86 MMP1 (0.75) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL294402 0.86 TRPM2 (0.83) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL294403 0.86 TRPM2 (0.83) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8048912 0.85 EGFR (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8063367 0.85 MEN1 (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8063364 0.85 MEN1 (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8048908 0.85 EGFR (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2781343 0.85 MEN1 (0.78) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 47 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
EP-2649992-A1 NEW PHARMACEUTIC USE OF BENZOIC AICD DERIVATIVES Li, Xianliang (CN) 2013-10-16 EP claimed
WO-2010071865-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS NUON THERAPEUTICS, INC. (US) 2010-06-24 WO 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
EP-1824469-A4 A METHOD OF MODULATING B CELL FUNCTIONING NUON THERAPEUTICS PTY LTD (AU) 2008-07-30 EP claimed
US-20080103204-A1 Method of modulating cellular activity and agents useful for same EBERHARD-KARLS-UNIVERSITAT TUBINGEN (DE) 2008-05-01 US claimed
EP-1845967-A4 A METHOD OF MODULATING T CELL FUNCTIONING UNIV LELAND STANFORD JUNIOR (US) 2008-03-05 EP claimed
EP-1885351-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Angiogen Pharmaceuticals Pty. Ltd (AU) 2008-02-13 EP claimed
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY LIMITED (AU) 2008-01-10 US claimed
EP-1845967-A2 A METHOD OF MODULATING T CELL FUNCTIONING The Board of Trustees of Leland Stanford Junior University (US) 2007-10-24 EP claimed
EP-1824469-A1 A METHOD OF MODULATING B CELL FUNCTIONING Angiogen Pharmaceuticals Pty. Ltd (AU) 2007-08-29 EP claimed
WO-2006122353-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ANGIOGEN PHARMACEUTICALS PTY. LTD. (AU) 2006-11-23 WO claimed
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 claimed
WO-2006053390-A1 A METHOD OF MODULATING B CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY. LTD. (AU) 2006-05-26 WO claimed

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-20080103204-A1 Method of modulating cellular activity and agents useful for same NLN, GAP43, CYBB MEN1 3828/4885KMT2A 3579/4885SMN1; SMN2 169/4885
US-20140072584-A1 NOVEL PHARMACEUTICAL USE OF BENZOIC ACID DERIVATIVES NFATC1, GABRA5, GABRA6 MEN1 4643/4885KMT2A 2566/4885SMN1; SMN2 4692/4885
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS XDH, SLC10A1, SLC10A6 MEN1 1944/4885KMT2A 3365/4885SMN1; SMN2 1716/4885
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING IFNG, CD4, IDO1 MEN1 3959/4885KMT2A 1759/4885SMN1; SMN2 4156/4885
US-20090197957-A1 Methods and compositions for the treatment of pain OPRL1, OPRK1, ACHE MEN1 3723/4885KMT2A 1934/4885SMN1; SMN2 1137/4885
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN OPRL1, GAP43, AANAT MEN1 3473/4885KMT2A 1821/4885SMN1; SMN2 40/4885
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING KYNU, IDO1, IDO2 MEN1 3204/4885KMT2A 1427/4885SMN1; SMN2 4850/4885
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME NLN, GAP43, CYBB MEN1 3828/4885KMT2A 3579/4885SMN1; SMN2 169/4885

“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.