SCHEMBL6168858

SCHEMBL6168858

CCCc1nc2ccc(C(=O)OCC)cc2n1Cc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.53
AGTR2 P50052 5/20 0.53
TP53 P04637 3/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
PPARG P37231 2/20 0.47
BLM P54132 1/20 0.46
PDE2A O00408 1/20 0.46
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL7671741 0.94 AGTR1 (0.61) AGTR1AGTR2TP53POLBRAB9A
SCHEMBL7668569 0.88 TDP1 (0.52) AGTR1AGTR2TP53MEN1KMT2A
SCHEMBL6168445 0.88 AGTR1 (0.53) AGTR1AGTR2RAB9AMEN1KMT2A
SCHEMBL6170958 0.85 AGTR1 (0.62) AGTR1AGTR2MEN1KMT2ASMN1; SMN2
SCHEMBL6170560 0.85 HTT (0.54) AGTR1AGTR2TP53RAB9AMEN1
SCHEMBL6171210 0.84 AGTR1 (0.62) AGTR1AGTR2POLBRAB9APPARG
SCHEMBL6169463 0.83 MEN1 (0.50) TP53POLBRAB9AMEN1KMT2A
SCHEMBL6171182 0.83 AGTR1 (0.54) AGTR1AGTR2MEN1KMT2ASMN1; SMN2
SCHEMBL169971 0.82 KDM4E (0.53) AGTR1AGTR2SMN1; SMN2PDE2AMAPT
SCHEMBL6171530 0.82 MEN1 (0.51) AGTR1AGTR2RAB9AMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP claimed
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 AGTR1 4001/4885AGTR2 3926/4885TP53 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.