SCHEMBL6169577

SCHEMBL6169577

O=C(O)c1ccc2nc(C3CC3)n(Cc3ccccc3Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.47
DPP4 P27487 4/20 0.46
TP53 P04637 1/20 0.46
CCR2 P41597 1/20 0.46
ALDH1A2 O94788 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALDH2 P05091 1/20 0.45
ALDH3A1 P30838 1/20 0.45
ALDH1A3 P47895 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TNF P01375 1/20 0.44
HRH1 P35367 1/20 0.44
PPARG P37231 1/20 0.44
MCHR1 Q99705 1/20 0.43
ACSS2 Q9NR19 1/20 0.43

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
SCHEMBL7672912 0.91 ALDH1A2 (0.45) ALOX5APTP53CCR2ALDH1A2ALDH1A1
SCHEMBL7675357 0.90 JAK2 (0.51) ALOX5APDPP4TP53ALDH1A2ALDH1A1
Hydrochloric Acid SCHEMBL6168624 0.90 ALDH1A2 (0.45) ALOX5APTP53ALDH1A2ALDH1A1ALDH2
SCHEMBL6169002 0.87 GLP1R (0.51) DPP4TP53ALDH1A1HRH1ACSS2
SCHEMBL7673764 0.86 PDE2A (0.51) ALOX5APALDH1A1TNFPPARGMCHR1
SCHEMBL6170906 0.84 PKM (0.46) ALDH1A2ALDH1A1ALDH2ALDH3A1ALDH1A3
SCHEMBL6169166 0.83 PPARG (0.57) ALOX5APTP53CCR2ALDH1A1NPC1
SCHEMBL6172347 0.82 RAB9A (0.45) TP53ALDH1A1NPC1RAB9ATNF
SCHEMBL6170082 0.82 PDE2A (0.49) ALOX5APDPP4ALDH1A1TNF
SCHEMBL7705354 0.81 HRH1 (0.38) ALOX5APTP53ALDH1A2ALDH1A1ALDH2

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 7 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
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 EP 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 ALOX5AP 3905/4885DPP4 1328/4885TP53 19/4885

“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.