SCHEMBL4249941

SCHEMBL4249941

CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 1/20 0.47
PAX8 Q06710 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.45
SUCNR1 Q9BXA5 4/20 0.45
SSTR3 P32745 1/20 0.43
PTPRB P23467 1/20 0.43

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
SCHEMBL13579985 0.93 MAPT (0.46) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL13579982 0.91 MAPT (0.45) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL13579976 0.91 MAPT (0.45) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL2073125 0.88 SSTR3 (0.43) MAPTSSTR3PTPRB
SCHEMBL1928798 0.87 CTSK (0.43) MAPTSSTR3
SCHEMBL1928799 0.87 CTSK (0.43) MAPTSSTR3
SCHEMBL1928254 0.87 CTSK (0.47) MAPTALDH1A1SSTR3PTPRB
SCHEMBL1928257 0.87 CTSK (0.47) MAPTALDH1A1SSTR3PTPRB
SCHEMBL13579140 0.85 MEN1 (0.47) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL27571239 0.85 CTSK (0.50) MAPTNPSR1MEN1KMT2AALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-6852725-B1 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S. A. S. (FR) 2005-02-08 US disclosed
EP-1086086-B1 IMIDAZOLYL DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR LIGANDS CONSEILS DE RECH SET D APPLIC (FR) 2004-10-13 EP disclosed
US-20040176379-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2004-09-09 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 (3 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-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 MAPT 4712/4885NPSR1 34/4885TDP1 4624/4885
US-20040176379-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 MAPT 4702/4885NPSR1 33/4885TDP1 4576/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR MAPT 4377/4885NPSR1 28/4885TDP1 4798/4885

“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.