SCHEMBL6172736

SCHEMBL6172736

Cc1nc2ccc(CC(=O)O)cc2n1Cc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.58
ALOX5AP P20292 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
PPARG P37231 1/20 0.51
TNF P01375 3/20 0.47
RAB9A P51151 3/20 0.47
GALR3 O60755 2/20 0.47
NR2F2 P24468 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GFER P55789 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL6171309 0.86 GALR3 (0.51) ALOX5APSMN1; SMN2ALDH1A1MAPTPPARG
SCHEMBL6168555 0.84 GALR3 (0.52) ALOX5APSMN1; SMN2ALDH1A1MAPTPPARG
SCHEMBL1160251 0.84 ALDH1A1 (0.49) SLC22A12ALOX5APSMN1; SMN2ALDH1A1MAPT
SCHEMBL6169166 0.84 PPARG (0.57) SLC22A12ALOX5APSMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6172792 0.83 GALR3 (0.51) ALOX5APSMN1; SMN2ALDH1A1MAPTPPARG
SCHEMBL6170410 0.81 GALR3 (0.48) ALOX5APSMN1; SMN2ALDH1A1MAPTPPARG
SCHEMBL6170938 0.80 PPARG (0.56) ALOX5APSMN1; SMN2ALDH1A1MAPTPPARG
SCHEMBL6170933 0.79 ALDH1A1 (0.49) SLC22A12ALOX5APSMN1; SMN2ALDH1A1MAPT
SCHEMBL6170935 0.79 ALDH1A1 (0.49) SLC22A12ALOX5APSMN1; SMN2ALDH1A1MAPT
SCHEMBL1160088 0.79 POLB (0.51) SMN1; SMN2ALDH1A1MAPTPPARGTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC22A12 4439/4885ALOX5AP 3905/4885SMN1; SMN2 4367/4885

“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.