SCHEMBL7088055

SCHEMBL7088055

I[C]1NNc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PDGFRA P16234 1/20 0.34
FER P16591 1/20 0.34
LTK P29376 1/20 0.34
CDK8 P49336 1/20 0.34
ACVR1 Q04771 1/20 0.34
LRRK2 Q5S007 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
NOS2 P35228 1/20 0.34
CYBB P04839 2/20 0.32
GPR3 P46089 2/20 0.32
NOX5 Q96PH1 2/20 0.32
NOX4 Q9NPH5 2/20 0.32
NOX1 Q9Y5S8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL1618358 0.80 MAOA (0.42) MAOAMAOBPDGFRAFERLTK
SCHEMBL1858902 0.68 ALDH1A1 (0.39) MAOAMAOBPDGFRAFERLTK
SCHEMBL982942 0.68 ALDH1A1 (0.39) MAOAMAOBPDGFRAFERLTK
SCHEMBL3662540 0.68 IDO1 (0.40) MAOAMAOBPDGFRAFERLTK
SCHEMBL20751705 0.68 MAOA (0.34) MAOAMAOBPDGFRAFERLTK
SCHEMBL28588443 0.65 GSK3B (0.50) MAOAMAOBPDGFRAFERLTK
SCHEMBL3640632 0.64 LRRK2 (0.35) MAOAMAOBPDGFRAFERLTK
SCHEMBL2051642 0.64 ALDH1A1 (0.33) MAOAMAOBPDGFRAFERLTK
SCHEMBL2000139 0.62 MAOA (0.39) MAOAMAOBPDGFRAFERLTK
SCHEMBL3907736 0.60 PDGFRA (0.52) MAOAMAOBPDGFRAFERLTK

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 7 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
CN-1074413-C Novel benzimidazole derivatives having CGMP-phosphodisterase inhibiting activity OTSUKA PHARMA CO LTD (JP) 2001-11-07 CN 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
CN-1158129-A Novel benzimidazole derivatives having CGMP-phosphodisterase inhibiting activity OTSUKA PHARMA CO LTD (JP) 1997-08-27 CN disclosed
EP-0779887-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP 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 MAOA 2876/4885MAOB 1658/4885PDGFRA 2460/4885

“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.