SCHEMBL7096732

SCHEMBL7096732

CCOC(=O)CNCC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.52
F10 P00742 2/20 0.52
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NQO2 P16083 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
GLA P06280 1/20 0.36
HTT P42858 1/20 0.35
NR1I2 O75469 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
SLC6A2 P23975 1/20 0.35
AGTR1 P30556 1/20 0.35

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
SCHEMBL7101553 0.89 F2 (0.49) F2F10NPC1RAB9APRSS1
SCHEMBL4451687 0.89 F2 (0.64) F2F10NPC1RAB9APRSS1
SCHEMBL4451691 0.89 F2 (0.64) F2F10NPC1RAB9APRSS1
SCHEMBL7414753 0.89 F2 (0.49) F2F10NPC1RAB9APRSS1
SCHEMBL7412689 0.87 F2 (0.56) F2F10NPC1RAB9APRSS1
Hydrochloric Acid SCHEMBL7411513 0.87 F2 (0.68) F2F10NPC1RAB9APRSS1
SCHEMBL7414751 0.86 F2 (0.48) F2F10NPC1RAB9APRSS1
SCHEMBL7415304 0.85 F2 (0.59) F2F10NPC1RAB9APRSS1
SCHEMBL7096709 0.85 F2 (0.58) F2F10NPC1RAB9APRSS1
SCHEMBL7101562 0.84 F2 (0.52) F2F10NPC1RAB9APRSS1

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 270/4885NPC1 3429/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 F2 13/4885F10 270/4885NPC1 3429/4885

“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.