SCHEMBL7101549

SCHEMBL7101549

CCOC(=O)C(OC)C(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(C(N)c1ccc(C#N)cc1)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.38
F10 P00742 6/20 0.38
PLG P00747 3/20 0.38
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PRLHR P49683 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
ADORA2A P29274 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL7096731 0.85 F2 (0.37) F2F10PLGALDH1A1GAA
SCHEMBL7413176 0.85 F2 (0.40) F2F10PLGJAK2JAK1
SCHEMBL7417175 0.84 F2 (0.36) F2F10PLGALDH1A1GAA
SCHEMBL7415299 0.83 F2 (0.41) F2F10PLGALDH1A1GAA
SCHEMBL7096708 0.83 F2 (0.40) F2F10PLGJAK2JAK1
SCHEMBL7412684 0.81 F2 (0.35) F2F10PLGALDH1A1GAA
SCHEMBL7414747 0.81 F2 (0.37) F2F10PLGALDH1A1GAA
SCHEMBL7100154 0.78 F2 (0.35) F2F10PLGDPP7ITK
SCHEMBL7418277 0.73 CHRNA7 (0.44) ALDH1A1HRH3MEN1KMT2ADPP7
SCHEMBL7415072 0.72 F2 (0.48) F2F10PLGDPP7ITK

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-6593355-B2 2-phenylaminomethyl benzimidazole derivatives BOEHRINGER INGELEHIM PHARMA KG (DE) 2003-07-15 US disclosed
US-20030004356-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
US-6451832-B2 E.G., 2-(AMINDINOPHENYLAMINOMETHYL)-1-METHYL-5-(1-(ETHOXY-CARBONYL-METHYLAMINO)-1 -(2,5-DIHYDROPYRROLOCARBONYL)-ETHYL)BENZIMIDAZOLE; ANTICOAGULANTS AND ANTITHROMBOLYTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-09-17 US disclosed
US-20010006977-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-07-05 US 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 (2 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-20030004356-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 F2 13/4885F10 270/4885PLG 17/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 F2 13/4885F10 270/4885PLG 17/4885

“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.