SCHEMBL994352

SCHEMBL994352

COCC(Cc1ccc(CCc2cccc(F)c2)cc1)(NC(C)=O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
AOC3 Q16853 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
STAT1 P42224 1/20 0.37
RAB9A P51151 1/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
SCN9A Q15858 1/20 0.37
DAO P14920 1/20 0.37
FFAR1 O14842 1/20 0.37
TAAR1 Q96RJ0 3/20 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
SCHEMBL1162490 0.82 ALDH1A1 (0.48) SCN9ATAAR1
SCHEMBL13270387 0.78 ALDH1A1 (0.35)
SCHEMBL3249158 0.73 RECQL (0.40) KMT2AMEN1TAAR1
SCHEMBL994351 0.70 ACACB (0.42) NR3C2KMT2AMEN1AOC3MAOB
SCHEMBL3482670 0.69 MEN1 (0.50) KMT2AMEN1RAB9A
Acetamide SCHEMBL27772479 0.68 SRC (0.56) NR3C2FFAR1TAAR1
SCHEMBL1697372 0.68 ALDH1A1 (0.48) KMT2ARAB9ATAAR1
SCHEMBL15671357 0.67 MMP8 (0.40) GAASCN9A
SCHEMBL1534933 0.67 MAOB (0.53) MAOBMAOASCN9A
SCHEMBL994350 0.66 CA12 (0.68) SCN9A

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-8933065-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-01-13 US disclosed
US-8829033-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-09 US disclosed
EP-2509939-A2 NOVEL N-BENZYLAMIDE SUBSTITUED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACY-LAMIDO) PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS The University of North Carolina At Chapel Hill (US) 2012-10-17 EP disclosed
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-09-13 US disclosed
WO-2011037833-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-03-31 WO disclosed
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2011-01-27 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-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, GBA1 NR3C2 3364/4885KMT2A 943/4885MEN1 1397/4885
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH NR3C2 3259/4885KMT2A 873/4885MEN1 1466/4885

“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.