SCHEMBL6172013

SCHEMBL6172013

CCc1nc2ccc(C(=O)NCc3cccc[n+]3[O-])cc2n1Cc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.57
TDP1 Q9NUW8 1/20 0.52
ROCK2 O75116 1/20 0.45
CASP6 P55212 1/20 0.45
PPARG P37231 2/20 0.44
TNF P01375 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RORC P51449 1/20 0.41
ACSS2 Q9NR19 1/20 0.41

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
SCHEMBL6168869 0.82 TP53 (0.56) TP53TDP1ROCK2CASP6PPARG
SCHEMBL6172009 0.80 TP53 (0.43) TP53TDP1PPARGTNFALDH1A1
SCHEMBL7669594 0.79 TP53 (0.54) TP53TDP1PPARGTNFKDM4E
SCHEMBL7671757 0.79 TP53 (0.59) TP53TDP1PPARGACSS2
SCHEMBL7673926 0.79 TDP1 (0.62) TP53TDP1PPARGALDH1A1POLB
SCHEMBL7669027 0.78 TP53 (0.53) TP53TDP1TNFALDH1A1KDM4E
SCHEMBL6170528 0.77 TP53 (0.55) TP53TDP1ROCK2PPARGALDH1A1
SCHEMBL6169384 0.76 PDE2A (0.53) TP53TDP1ALDH1A1KDM4EPOLB
SCHEMBL7674177 0.76 PDE2A (0.55) TP53TDP1ROCK2CASP6ALDH1A1
SCHEMBL7676640 0.76 PDE2A (0.53) TP53TDP1TNFALDH1A1KDM4E

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 TP53 19/4885TDP1 3757/4885ROCK2 1156/4885

“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.