SCHEMBL6168974

SCHEMBL6168974

CCCc1nc2ccc(C(=O)N(C)Cc3ccccn3)cc2n1Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.45
PPARG P37231 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
AGTR1 P30556 2/20 0.44
AGTR2 P50052 2/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 2/20 0.42
CNR2 P34972 1/20 0.41
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
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
SCHEMBL6172390 0.87 PTGES (0.47) PTGESPPARGTDP1AGTR1AGTR2
SCHEMBL6168741 0.85 AGTR1 (0.54) AGTR1AGTR2MAPTTP53CNR2
SCHEMBL7674177 0.84 PDE2A (0.55) PTGESTDP1MAPTALDH1A1HPGD
SCHEMBL6170375 0.81 AGTR1 (0.62) PTGESPPARGTDP1AGTR1AGTR2
SCHEMBL7671121 0.81 AGTR1 (0.54) PTGESPPARGTDP1AGTR1AGTR2
SCHEMBL7675595 0.81 AGTR1 (0.53) TDP1AGTR1AGTR2ALDH1A1HPGD
SCHEMBL6170532 0.80 AGTR1 (0.55) PTGESPPARGTDP1AGTR1AGTR2
SCHEMBL6169384 0.80 PDE2A (0.53) TDP1AGTR1AGTR2ALDH1A1HPGD
SCHEMBL7675982 0.79 TDP1 (0.57) PTGESPPARGTDP1AGTR1AGTR2
SCHEMBL7673926 0.79 TDP1 (0.62) PTGESPPARGTDP1AGTR1AGTR2

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 853/4885PPARG 1181/4885TDP1 3757/4885

“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.