Sugi Predict

Sugi Predict / Compounds / SCHEMBL6172009

SCHEMBL6172009

SCHEMBL6172009

CCc1nc2ccc(C(=O)C(N)c3cccc[n+]3[O-])cc2n1Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALOX5AP P20292 3/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ TNF P01375 3/20 0.38
▸ NOD2 Q9HC29 2/20 0.38
▸ NOD1 Q9Y239 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6172013 0.80 TP53 (0.57) TP53TDP1TNFNOD2NOD1
SCHEMBL7669027 0.80 TP53 (0.53) TP53TDP1ALOX5APTSHRCA12
SCHEMBL7669594 0.79 TP53 (0.54) TP53TDP1ALOX5APTNFNOD2
SCHEMBL7676640 0.75 PDE2A (0.53) TP53TDP1TSHRTNFNOD2
SCHEMBL7671124 0.74 AGTR1 (0.54) TP53TDP1KDM4EALDH1A1
SCHEMBL6170532 0.72 AGTR1 (0.55) TP53TDP1ALOX5APCA1CA2
SCHEMBL7671121 0.71 AGTR1 (0.54) TP53TDP1CA1CA2CA7
SCHEMBL6170375 0.71 AGTR1 (0.62) TP53TDP1PPARGPTGES
SCHEMBL7670036 0.71 AGTR1 (0.57) TP53TDP1CA1CA2CA7
SCHEMBL6168869 0.70 TP53 (0.56) TP53TDP1KDM4EPPARGMAPT

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 3757/4885ALOX5AP 3905/4885

“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.