SCHEMBL7097054

SCHEMBL7097054

CNc1ccc([C@@](C)(NC(=O)OC(C)(C)C)C(=O)N2CCCC2)cc1NC(=O)CNc1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
MAPT P10636 6/20 0.38
GAA P10253 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.37
EGLN2 Q96KS0 1/20 0.33
CETP P11597 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
DRD2 P14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
FPR1 P21462 2/20 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
SCHEMBL7420806 1.00 ALDH1A1 (0.38) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7420037 0.82 ALDH1A1 (0.37) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4451660 0.75 F2 (0.58) ALDH1A1MAPTGAATHRBPOLB
SCHEMBL7415365 0.75 F2 (0.58) ALDH1A1MAPTGAATHRBPOLB
SCHEMBL4449996 0.74 ALOX15 (0.38) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7413823 0.74 ALOX15 (0.38) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7412573 0.73 ALDH1A1 (0.42) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7412611 0.72 HCAR3 (0.41) ALDH1A1MAPTGAAKMT2APKM
SCHEMBL4443935 0.72 HCAR3 (0.41) ALDH1A1MAPTGAAKMT2APKM
SCHEMBL7977870 0.70 F2 (0.56) F2F10

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 ALDH1A1 232/4885MAPT 4862/4885GAA 2286/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 ALDH1A1 232/4885MAPT 4862/4885GAA 2286/4885

“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.