SCHEMBL7097430

SCHEMBL7097430

CCOC(=O)COCC(C)(C(=O)N1CCCC1)c1ccc(NC)c(N)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
RAB9A P51151 8/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGER4 P35408 2/20 0.34
NPC1 O15118 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKCI P41743 1/20 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
SCHEMBL7476265 0.78 ALOX15 (0.36) ALOX15RAB9AALDH1A1KDM4EPKM
SCHEMBL7421339 0.77 PRKCI (0.32) RAB9AALDH1A1KDM4EPKMHPGD
SCHEMBL7100641 0.76 AAK1 (0.38) ALOX15RAB9AALDH1A1KDM4EPKM
SCHEMBL7421332 0.76 PRKCI (0.33) RAB9AALDH1A1KDM4EPKMHPGD
SCHEMBL7421336 0.75 PRKCI (0.34) RAB9AALDH1A1KDM4EPKMHPGD
SCHEMBL7097859 0.74 PKM (0.47) RAB9AALDH1A1KDM4EPKMPTGER4
SCHEMBL7981483 0.73 PRKCI (0.39) RAB9AALDH1A1PKMNPC1SMN1; SMN2
SCHEMBL8029778 0.72 ALDH1A1 (0.40) ALOX15RAB9AALDH1A1KDM4EHPGD
SCHEMBL7099917 0.71 STK25 (0.32) PRKCI
SCHEMBL4449996 0.69 ALOX15 (0.38) ALOX15RAB9AALDH1A1KDM4EPKM

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 ALOX15 1201/4885RAB9A 4583/4885ALDH1A1 232/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 ALOX15 1201/4885RAB9A 4583/4885ALDH1A1 232/4885

“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.