SCHEMBL7089623

SCHEMBL7089623

O=C1c2ccccc2C(=O)N1CCCn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
ALDH1A1 P00352 2/20 0.45
POLB P06746 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
SCHEMBL7091473 0.80 CDK4 (0.46) HTR1A
SCHEMBL7817628 0.79 CDK4 (0.69) HTR1AALDH1A1
SCHEMBL23902730 0.78 GLS (0.46)
SCHEMBL2263041 0.78 GLS (0.46)
SCHEMBL30241520 0.78 GLS (0.46)
SCHEMBL2479169 0.78 HTR7 (0.47)
SCHEMBL14404541 0.77 PLG (0.44)
SCHEMBL10430002 0.77 PLG (0.46)
SCHEMBL7085455 0.77 MTNR1A (0.53)
SCHEMBL21246042 0.77 CHRM2 (0.52) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2003-01-09 US disclosed
EP-0779887-B1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODIESTERASE INHIBITING ACTIVITY OTSUKA PHARMA CO LTD (JP) 2001-05-23 EP disclosed
US-5998437-A ARTERIOSCLEROSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-12-07 US disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 WO 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-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 HTR1A 4543/4885ALDH1A1 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.