SCHEMBL2746925

SCHEMBL2746925

Cc1c(CC(=O)O)c2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.68
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
MEN1 O00255 1/20 0.64
RGS12 O14924 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
MAPT P10636 1/20 0.64
PKM P14618 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
GNAI1 P63096 1/20 0.64
PMP22 Q01453 1/20 0.64
KMT2A Q03164 1/20 0.64
HIF1A Q16665 1/20 0.64
ALOX5 P09917 5/20 0.61
PTGS1 P23219 1/20 0.61

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
Hydrochloric Acid SCHEMBL9138311 0.99 ALOX5AP (0.67) ALOX5APCYP3A4CYP2C9MEN1RGS12
SCHEMBL9680113 0.96 ALOX5AP (0.62) ALOX5APCYP3A4CYP2C9MEN1RGS12
Water SCHEMBL9140709 0.95 ALOX5AP (0.61) ALOX5APCYP3A4CYP2C9MEN1RGS12
Water SCHEMBL9140717 0.95 ALOX5AP (0.61) ALOX5APCYP3A4CYP2C9MEN1RGS12
SCHEMBL9140666 0.95 PLA2G2A (0.65) ALOX5APCYP3A4CYP2C9MEN1RGS12
SCHEMBL9447692 0.92 CYP3A4 (0.64) ALOX5APCYP3A4CYP2C9MEN1RGS12
SCHEMBL9138282 0.92 PLA2G2A (0.59) ALOX5APCYP3A4CYP2C9MEN1RGS12
SCHEMBL9140970 0.92 ALOX5AP (0.65) ALOX5APCYP3A4CYP2C9MEN1RGS12
SCHEMBL9447721 0.92 PTGS2 (0.64) ALOX5APPTGS2PLA2G2APLA2G1BPTGDR2
SCHEMBL8292250 0.92 ALOX5AP (0.64) ALOX5APCYP3A4CYP2C9MEN1RGS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US claimed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
US-5229516-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-20 US claimed
EP-0502106-A1 SUBSTITUTED INDOLE-, INDENE-, PYRANOINDOLE- AND TETRAHYDROCARBAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-09 EP claimed
WO-1991006537-A2 SUBSTITUTED INDOLE-, INDENE-, PYRANOINDOLE- AND TETRAHYDROCARBAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-16 WO claimed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US disclosed
US-20100068301-A1 COMPOSITIONS AND TREATMENTS COMPRISING 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITORS AND NITRIC OXIDE MODULATORS PANMIRA PHARMACEUTICALS, LLC 2010-03-18 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP disclosed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO disclosed
WO-1994001407-A3 INDOLE AND INDENE DERIVATIVES AS PLA2 AND LIPOXYGENASE INHIBITORS AMERICAN HOME PROD (US) 1994-03-03 WO disclosed
WO-1994001407-A2 INDOLE AND INDENE DERIVATIVES AS PLA2 AND LIPOXYGENASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-20 WO disclosed
WO-1994001407-A2 INDOLE AND INDENE DERIVATIVES AS PLA2 AND LIPOXYGENASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-20 WO disclosed
US-5229516-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-20 US 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 (5 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-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES ALOX5AP 230/4885CYP3A4 705/4885CYP2C9 477/4885
US-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 ALOX5AP 63/4885CYP3A4 1705/4885CYP2C9 1375/4885
US-20100068301-A1 COMPOSITIONS AND TREATMENTS COMPRISING 5-LIPOXYGENASE-ACTIVATING PROTEIN INHIBITORS AND NITRIC OXIDE MODULATORS ALOX5, ALOX15B, PTGIS ALOX5AP 5/4885CYP3A4 1011/4885CYP2C9 1470/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 ALOX5AP 235/4885CYP3A4 713/4885CYP2C9 542/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 ALOX5AP 63/4885CYP3A4 1705/4885CYP2C9 1375/4885

“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.