SCHEMBL7100641

SCHEMBL7100641

CNc1ccc(C(C)(CNC(=O)OC(C)(C)C)C(=O)N2CCCC2)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.38
CNR2 P34972 1/20 0.36
NR1I3 Q14994 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
MAPT P10636 2/20 0.35
PRKCI P41743 1/20 0.34
ALOX15 P16050 1/20 0.34
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL7413823 0.83 ALOX15 (0.38) AAK1NR1I3MAPTPRKCIALOX15
SCHEMBL4449996 0.83 ALOX15 (0.38) AAK1NR1I3MAPTPRKCIALOX15
SCHEMBL7421332 0.79 PRKCI (0.33) MAPTPRKCINPC1HTTRAB9A
SCHEMBL7421336 0.78 PRKCI (0.34) CNR2PRKCINPC1HTTRAB9A
SCHEMBL7421339 0.76 PRKCI (0.32) MAPTPRKCINPC1HTTRAB9A
SCHEMBL7097430 0.76 ALOX15 (0.35) PRKCIALOX15NPC1HTTRAB9A
SCHEMBL7099917 0.74 STK25 (0.32) PRKCI
SCHEMBL7411883 0.74 AAK1 (0.41) AAK1PRKCI
SCHEMBL7981483 0.73 PRKCI (0.39) MAPTPRKCINPC1HTTRAB9A
SCHEMBL7968327 0.72 MEN1 (0.31) NPC1HTTRAB9ASMN1; SMN2MEN1

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 AAK1 2494/4885CNR2 1881/4885NR1I3 1061/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 AAK1 2494/4885CNR2 1881/4885NR1I3 1061/4885

“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.