SCHEMBL7097463

SCHEMBL7097463

CCOCOCC(C)(C(=O)N1CCCC1)c1ccc(N(C)Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.44
AR P10275 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7097861 0.90 LMNA (0.43) LMNAMAPTARMEN1KMT2A
SCHEMBL7101471 0.87 LMNA (0.47) LMNAMAPTARMEN1KMT2A
SCHEMBL7097696 0.86 LMNA (0.51) LMNAMAPTARMEN1KMT2A
SCHEMBL7100942 0.85 LMNA (0.50) LMNAMAPTARMEN1KMT2A
SCHEMBL7412961 0.84 LMNA (0.48) LMNAMAPTARMEN1KMT2A
SCHEMBL7096419 0.83 LMNA (0.48) LMNAMAPTARMEN1KMT2A
SCHEMBL7409924 0.82 LMNA (0.44) LMNAMAPTARMEN1KMT2A
SCHEMBL7097462 0.81 PKM (0.49) LMNAMAPTMEN1KMT2APOLB
SCHEMBL7409921 0.79 LMNA (0.43) LMNAMAPTARMEN1KMT2A
SCHEMBL7097427 0.79 LMNA (0.44) LMNAMAPTARMEN1KMT2A

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 6 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
EP-1244636-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC Boehringer Ingelheim Pharma KG (DE) 2002-10-02 EP 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
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO 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 LMNA 1615/4885MAPT 4862/4885AR 4464/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 LMNA 1615/4885MAPT 4862/4885AR 4464/4885

“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.