SCHEMBL6168901

SCHEMBL6168901

CCOC(=O)c1ccc2nc(CC)n(Cc3ccc(OCc4ccc(F)cc4)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
NPC1 O15118 1/20 0.51
NLRP3 Q96P20 1/20 0.51
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MCHR1 Q99705 1/20 0.47
ALOX5AP P20292 6/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
MAOB P27338 5/20 0.45
VDR P11473 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL6169036 0.90 AGTR1 (0.59) AGTR1AGTR2RAB9AMCHR1ALOX5AP
SCHEMBL6170372 0.88 MAPT (0.50) MAPTNPC1NLRP3AGTR1AGTR2
SCHEMBL6171210 0.84 AGTR1 (0.62) MAPTAGTR1AGTR2RAB9A
SCHEMBL6170337 0.84 MAPT (0.55) MAPTNPC1NLRP3RAB9ANPSR1
SCHEMBL6172705 0.82 MEN1 (0.52) MAPTNPC1NLRP3RAB9ANPSR1
SCHEMBL1178905 0.81 AGTR2 (0.49) MAPTAGTR1AGTR2RAB9AMCHR1
SCHEMBL6170729 0.81 PPARG (0.54) NPC1AGTR1AGTR2RAB9A
SCHEMBL8285684 0.80 MAPT (0.48) MAPTNPC1AGTR1AGTR2RAB9A
Ammonia Solution, Strong SCHEMBL6170533 0.80 AGTR2 (0.49) MAPTAGTR1AGTR2RAB9AMCHR1
SCHEMBL6169148 0.77 AGTR1 (0.52) AGTR1AGTR2ALOX5APVDRNR1H4

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 MAPT 4390/4885NPC1 827/4885NLRP3 4304/4885

“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.