SCHEMBL6170938

SCHEMBL6170938

C=C(C(=O)O)c1ccc2nc(C)n(Cc3ccccc3Cl)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.56
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX5AP P20292 2/20 0.48
TNF P01375 3/20 0.46
TP53 P04637 2/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NOD2 Q9HC29 1/20 0.44

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 0.89 PPARG (0.57) PPARGALDH1A1MAPTSMN1; SMN2ALOX5AP
SCHEMBL7595767 0.89 PPARG (0.52) PPARGALDH1A1MAPTSMN1; SMN2ALOX5AP
SCHEMBL6168582 0.84 PPARG (0.48) PPARGALDH1A1MAPTSMN1; SMN2ALOX5AP
SCHEMBL6169005 0.83 PDE2A (0.55) PPARGALDH1A1MAPTSMN1; SMN2ALOX5AP
SCHEMBL27508179 0.81 PPARG (0.55) PPARGALDH1A1MAPTSMN1; SMN2TNF
SCHEMBL1160116 0.81 PPARG (0.59) PPARGALDH1A1MAPTSMN1; SMN2ALOX5AP
SCHEMBL1160337 0.80 PPARG (0.61) PPARGALDH1A1MAPTSMN1; SMN2ALOX5AP
SCHEMBL6172736 0.80 SLC22A12 (0.58) PPARGALDH1A1MAPTSMN1; SMN2ALOX5AP
SCHEMBL4570712 0.80 PPARG (0.68) PPARGALDH1A1MAPTSMN1; SMN2ALOX5AP
SCHEMBL7651458 0.79 PPARG (0.56) PPARGALDH1A1MAPTSMN1; SMN2ALOX5AP

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 PPARG 1181/4885ALDH1A1 487/4885MAPT 4390/4885

“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.