SCHEMBL2449412

SCHEMBL2449412

Cc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.73
NOTUM Q6P988 10/20 0.68
ALDH1A1 P00352 3/20 0.68
CHRNA7 P36544 1/20 0.55
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MYC P01106 1/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.49
PTGS2 P35354 1/20 0.49
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL2211020 0.90 NOTUM (0.67) PLK1NOTUMALDH1A1CHRNA7CA1
SCHEMBL5922325 0.90 NOTUM (0.67) PLK1NOTUMALDH1A1CHRNA7
SCHEMBL27535987 0.90 PLK1 (0.60) PLK1NOTUMALDH1A1CHRNA7CA1
SCHEMBL10369631 0.89 PLK1 (0.71) PLK1NOTUMALDH1A1CHRNA7CA1
SCHEMBL27542192 0.88 NOTUM (0.70) PLK1NOTUMALDH1A1CHRNA7TP53
SCHEMBL6457336 0.87 PLK1 (0.69) PLK1NOTUMALDH1A1CHRNA7CA1
SCHEMBL4265600 0.87 PLK1 (0.58) PLK1NOTUMALDH1A1CHRNA7CA1
SCHEMBL4265653 0.87 PLK1 (0.58) PLK1NOTUMALDH1A1CHRNA7TP53
SCHEMBL27535986 0.87 PLK1 (0.58) PLK1NOTUMALDH1A1CHRNA7MYC
SCHEMBL27512288 0.87 NOTUM (0.71) PLK1NOTUMALDH1A1TP53PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators ASTRAZENECA AB (SE) 2006-06-08 US claimed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
EP-2376454-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-10-19 EP disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
WO-2010059611-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 US disclosed
US-20060198893-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble pyrrole carboxamide and excipient like middle chain triglycerides ASTRAZENECA AB (SE) 2006-09-07 US disclosed
US-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators ASTRAZENECA AB (SE) 2006-06-08 US disclosed
EP-1592404-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE PYRROLE CARBOXAMIDE AND AN EXCIPIENT LIKE MIDDLE CHAIN TRIGLYCERIDES AstraZeneca AB (SE) 2005-11-09 EP disclosed
EP-1578417-A1 1,5-DIARYL-PYRROLE-3-CARBOXAMIDE DERIVATIVES AND THEIR USE AS CANNABINOID RECEPTOR MODULATORS AstraZeneca AB (SE) 2005-09-28 EP disclosed
US-20040267028-A1 Preparation and use of pyrrole derivatives for treating obesity BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
WO-2004069227-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE PYRROLE CARBOXAMIDE AND EXCIPIENT LIKE MIDDLE CHAIN TRIGLYCERIDES ASTRAZENECA AB (SE) 2004-08-19 WO disclosed
WO-2004058249-A1 1,5-DIARYL-PYRROLE-3-CARBOXAMIDE DERIVATIVES AND THEIR USE AS CANNABINOID RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
EP-1432679-A1 PREPARATION AND USE OF PYRROLE DERIVATIVES FOR TREATING OBESITY Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027069-A1 PREPARATION AND USE OF PYRROLE DERIVATIVES FOR TREATING OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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 (6 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-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT PLK1 2539/4885NOTUM 359/4885ALDH1A1 928/4885
US-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 PLK1 4848/4885NOTUM 4494/4885ALDH1A1 2159/4885
US-20060198893-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble pyrrole carboxamide and excipient like middle chain triglycerides CETP, PNLIP, LIPC PLK1 1060/4885NOTUM 19/4885ALDH1A1 1550/4885
US-20040267028-A1 Preparation and use of pyrrole derivatives for treating obesity PGC, GIPR, GPR119 PLK1 1601/4885NOTUM 1376/4885ALDH1A1 1881/4885
US-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators CNR1, CNR2, GPR18 PLK1 4623/4885NOTUM 2381/4885ALDH1A1 2330/4885
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders NRAS, HRAS, KRAS PLK1 328/4885NOTUM 4859/4885ALDH1A1 3966/4885

“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.