SCHEMBL6169466

SCHEMBL6169466

CCCCn1c(CCC)nc2ccc(C(=O)NCc3ccccn3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
POLB P06746 2/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 5/20 0.52
NAMPT P43490 1/20 0.51
PIK3CA P42336 1/20 0.51
MAPT P10636 2/20 0.50
PDE2A O00408 1/20 0.50
ALOX15 P16050 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
NR4A1 P22736 1/20 0.49
APEX1 P27695 1/20 0.49
CASP1 P29466 1/20 0.49
PTPN7 P35236 1/20 0.49

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
SCHEMBL6168527 0.88 NAMPT (0.54) KDM4EALDH1A1POLBGAAHPGD
SCHEMBL6168396 0.88 AGTR1 (0.54) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL6169365 0.85 MAPT (0.54) KDM4EALDH1A1TP53NAMPTPIK3CA
SCHEMBL7674177 0.85 PDE2A (0.55) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL6167923 0.85 NAMPT (0.53) KDM4EALDH1A1POLBGAAHPGD
SCHEMBL6171257 0.84 MAPT (0.58) KDM4EALDH1A1SMN1; SMN2TP53NAMPT
SCHEMBL7594143 0.83 PPARG (0.51) KDM4EALDH1A1SMN1; SMN2TP53PIK3CA
SCHEMBL6171102 0.83 AGTR1 (0.54) KDM4EALDH1A1POLBGAAHPGD
SCHEMBL6169384 0.83 PDE2A (0.53) KDM4EALDH1A1POLBGAAHPGD
SCHEMBL6168528 0.78 KDM4E (0.59) KDM4EALDH1A1POLBGAAHPGD

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 KDM4E 2132/4885ALDH1A1 487/4885POLB 192/4885

“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.