SCHEMBL4570712

SCHEMBL4570712

Cc1nc2cc(C(=O)O)ccc2n1Cc1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.68
ALOX5AP P20292 5/20 0.62
HSD17B10 Q99714 1/20 0.55
TP53 P04637 1/20 0.53
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
LTC4S Q16873 1/20 0.53
CCR2 P41597 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TNF P01375 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
SCHEMBL6169166 0.91 PPARG (0.57) PPARGALOX5APHSD17B10TP53PTGES
SCHEMBL4530035 0.87 KDM4E (0.65) PPARGALOX5APTP53ALDH1A1MAPT
SCHEMBL6172342 0.87 PPARG (0.54) PPARGALOX5APHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6172337 0.86 PPARG (0.64) PPARGALOX5APHSD17B10TP53ALDH1A1
SCHEMBL1160051 0.84 PPARG (0.67) PPARGTP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL6169342 0.84 AGTR1 (0.62) PPARGALOX5APTP53PTGES
SCHEMBL6168734 0.83 ALOX5AP (0.59) PPARGALOX5APTP53PTGESALOX5
SCHEMBL6170907 0.82 AGTR1 (0.66) ALOX5APALDH1A1SMN1; SMN2
SCHEMBL6170260 0.82 AGTR1 (0.58) PPARGALOX5APHSD17B10RAB9A
SCHEMBL8038782 0.82 PPARG (1.00) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US claimed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP claimed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 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 (1 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 PPARG 1181/4885ALOX5AP 3905/4885HSD17B10 1746/4885

“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.