SCHEMBL2779999

SCHEMBL2779999

O=C(C=Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 1.00
MEN1 O00255 5/20 0.78
KMT2A Q03164 5/20 0.78
NPC1 O15118 4/20 0.78
RAB9A P51151 4/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
ALDH1A1 P00352 3/20 0.78
HPGD P15428 3/20 0.78
KDM4E B2RXH2 3/20 0.78
NPSR1 Q6W5P4 2/20 0.78
TRPM2 O94759 4/20 0.77
LTB4R Q15722 1/20 0.77
CTDSP1 Q9GZU7 1/20 0.77
TRPM8 Q7Z2W7 4/20 0.75
MAPT P10636 2/20 0.70
MMP1 P03956 3/20 0.62
MMP2 P08253 3/20 0.62
MMP9 P14780 3/20 0.62
EGFR P00533 3/20 0.62
PLA2G1B P04054 1/20 0.62

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
SCHEMBL2779997 1.00 TRPA1 (1.00) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL294402 0.90 TRPM2 (0.83) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL294403 0.90 TRPM2 (0.83) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL2778920 0.88 TRPM2 (0.81) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL2778922 0.88 TRPM2 (0.81) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL29401064 0.88 TRPM2 (0.81) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL8638857 0.87 SMN1; SMN2 (1.00) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL8638865 0.87 SMN1; SMN2 (1.00) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL28809046 0.87 TRPM2 (1.00) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL28809051 0.87 TRPM2 (1.00) TRPA1MEN1KMT2ANPC1RAB9A

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 52 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
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY 2011-03-03 US 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
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 (9 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 TRPA1 2236/4885MEN1 3828/4885KMT2A 3579/4885
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS NAAA, ELANE, APEH TRPA1 1639/4885MEN1 3484/4885KMT2A 1670/4885
US-20140072584-A1 NOVEL PHARMACEUTICAL USE OF BENZOIC ACID DERIVATIVES NFATC1, GABRA5, GABRA6 TRPA1 353/4885MEN1 4643/4885KMT2A 2566/4885
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS XDH, SLC10A1, SLC10A6 TRPA1 4098/4885MEN1 1944/4885KMT2A 3365/4885
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING IFNG, CD4, IDO1 TRPA1 901/4885MEN1 3959/4885KMT2A 1759/4885
US-20090197957-A1 Methods and compositions for the treatment of pain OPRL1, OPRK1, ACHE TRPA1 72/4885MEN1 3723/4885KMT2A 1934/4885
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN OPRL1, GAP43, AANAT TRPA1 15/4885MEN1 3473/4885KMT2A 1821/4885
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING KYNU, IDO1, IDO2 TRPA1 1754/4885MEN1 3204/4885KMT2A 1427/4885
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME NLN, GAP43, CYBB TRPA1 2236/4885MEN1 3828/4885KMT2A 3579/4885

“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.