SCHEMBL6170650

SCHEMBL6170650

CCOC(=O)c1ccc2nc(C(F)(F)F)n(Cc3ccc(-c4ccccc4)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.52
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ACSS2 Q9NR19 3/20 0.48
PPARG P37231 3/20 0.46
AGTR2 P50052 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACHE P22303 1/20 0.45
PDE10A Q9Y233 1/20 0.44
F2RL3 Q96RI0 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL6171933 0.92 PPARG (0.54) PDE2ARAB9ANPC1PPARGAGTR2
SCHEMBL6168941 0.87 PDE2A (0.56) PDE2ARAB9ANPC1PPARGSIRT2
SCHEMBL6169381 0.87 ACSS2 (0.52) ACSS2PPARGAGTR2CYP1A2
SCHEMBL6170729 0.85 PPARG (0.54) PDE2ARAB9ANPC1PPARGAGTR2
SCHEMBL6173743 0.82 PDE2A (0.54) PDE2ARAB9ANPC1PPARGAGTR2
SCHEMBL14382294 0.82 PDE2A (0.61) PDE2ARAB9ANPC1SIRT2SIRT1
SCHEMBL6169424 0.80 TNF (0.56) PDE2ARAB9ANPC1ACSS2PPARG
SCHEMBL14377804 0.80 PPARG (0.49) RAB9ANPC1PPARGSIRT2SIRT1
SCHEMBL6169427 0.80 RAB9A (0.49) PDE2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL6169712 0.79 HDAC1 (0.52) PDE2ARAB9ANPC1PPARGPDE10A

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 PDE2A 3774/4885RAB9A 3277/4885NPC1 827/4885

“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.