SCHEMBL6172390

SCHEMBL6172390

CCCc1nc2ccc(C(=O)N(C)c3ccccn3)cc2n1Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.47
AGTR1 P30556 4/20 0.45
AGTR2 P50052 4/20 0.45
PPARG P37231 6/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 2/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40

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
SCHEMBL6168974 0.87 PTGES (0.45) PTGESAGTR1AGTR2PPARGTDP1
SCHEMBL6171098 0.84 AGTR1 (0.55) AGTR1AGTR2TP53
SCHEMBL6170375 0.82 AGTR1 (0.62) PTGESAGTR1AGTR2PPARGTDP1
SCHEMBL7671121 0.82 AGTR1 (0.54) PTGESAGTR1AGTR2PPARGTDP1
SCHEMBL7675595 0.82 AGTR1 (0.53) AGTR1AGTR2TDP1ALDH1A1HPGD
SCHEMBL6170532 0.81 AGTR1 (0.55) PTGESAGTR1AGTR2PPARGTDP1
SCHEMBL7674177 0.80 PDE2A (0.55) PTGESTDP1MAPTALDH1A1HPGD
SCHEMBL7675982 0.80 TDP1 (0.57) PTGESAGTR1AGTR2PPARGTDP1
SCHEMBL7673926 0.80 TDP1 (0.62) PTGESAGTR1AGTR2PPARGTDP1
SCHEMBL7668569 0.79 TDP1 (0.52) PTGESAGTR1AGTR2PPARGTDP1

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 PTGES 853/4885AGTR1 4001/4885AGTR2 3926/4885

“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.