SCHEMBL1613356

SCHEMBL1613356

O=C(O)CNc1cc(C(=O)O)nc2cc(Cl)cc(Cl)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.38
PPM1G O15355 1/20 0.38
ALOX5 P09917 1/20 0.38
PTPN1 P18031 1/20 0.38
KDM5A P29375 1/20 0.38
PPM1A P35813 1/20 0.38
PTPN9 P43378 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
CDC25A P30304 1/20 0.34
GPR17 Q13304 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
HIF1A Q16665 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
FBP1 P09467 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ACLY P53396 1/20 0.33

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
SCHEMBL8946276 0.82 ACHE (0.40) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL6251453 0.80 GRM2 (0.39) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL29567556 0.76 TDP1 (0.49) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL1611157 0.76 TDP1 (0.49) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL26998250 0.75 IRAK4 (0.40)
SCHEMBL9463397 0.75 AKR1C4 (0.44) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL29384232 0.75 IGFBP3 (0.41) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL158714 0.75 IGFBP3 (0.41) PTGESPPM1GALOX5PTPN1KDM5A
SCHEMBL9381152 0.74 OPRK1 (0.51) KDM4C
SCHEMBL9441953 0.74 PTGES (0.39) PTGESPPM1GALOX5PTPN1KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5441963-A Administering probenecid and derivatives MERRELL DOW PHARMACEUTICALS (US) 1995-08-15 US claimed
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 US claimed
US-20160058749-A1 TREATMENTS FOR NEUROPATHY CHILDRENS MEDICAL CENTER (US) 2016-03-03 US disclosed
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 US disclosed
WO-2014160811-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-10-02 WO disclosed
US-20110086878-A1 Treatments for Neuropathy NIH-DEITR 2011-04-14 US disclosed
US-7863295-B2 Treatments for neuropathy CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-01-04 US disclosed
EP-2240177-A2 TREATMENTS FOR NEUROPATHY Children's Medical Center Corporation (US) 2010-10-20 EP disclosed
WO-2009102570-A2 TREATMENTS FOR NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-08-20 WO disclosed
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NIH-DEITR 2009-08-13 US disclosed
US-5914403-A NOVEL 4-((PYRIDINO-CARBONYL)AMINO)-2-(CARBOXYLIC ACID OR ESTER)-5,6,7,8-OPTIONALLY SUBSTITUTED QUINOLINE COMPOUNDS AS ANTICONVULSANTS NICHOLS ALFRED C (US) 1999-06-22 US disclosed
US-5783700-A ANTICONVULSANTS, TREATMENT OF EPILEPSY, NEURODEGENERATIVE DISEASES, ANTIISCHEMIC, INTERACT WITH N-METHYL-D-ASPARTATE (NMDA) RECEPTOR COMPLEX NICHOLS ALFRED C (US) 1998-07-21 US disclosed
US-5493027-A ANTIEPILEPTIC AGENTS, NEUROGENATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-02-20 US disclosed
US-5441963-A Administering probenecid and derivatives MERRELL DOW PHARMACEUTICALS (US) 1995-08-15 US disclosed
EP-0398283-B1 Excitatory amino acid antagonists MERRELL DOW PHARMA (US) 1994-11-02 EP disclosed
WO-1994017042-A1 ANTICONVULSIVE AGENTS AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-08-04 WO disclosed
US-5112821-A Excitatory amino acid antagonists which are certain thienopyridives MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-12 US disclosed
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 US disclosed
EP-0398283-A1 Excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-22 EP 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-20160058749-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 PTGES 1215/4885PPM1G 3845/4885ALOX5 368/4885
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 PTGES 1215/4885PPM1G 3845/4885ALOX5 368/4885
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY PMP22, GAP43, NGF PTGES 3086/4885PPM1G 3281/4885ALOX5 395/4885
US-20110086878-A1 Treatments for Neuropathy NGF, BDNF, NTRK2 PTGES 1215/4885PPM1G 3845/4885ALOX5 368/4885

“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.