SCHEMBL993542

SCHEMBL993542

[N]Cc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.73
NR4A2 P43354 2/20 0.61
PARP10 Q53GL7 1/20 0.60
MAOA P21397 3/20 0.54
SCN9A Q15858 1/20 0.52

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
SCHEMBL27521276 0.86 MAOB (0.77) MAOBNR4A2PARP10MAOA
SCHEMBL992837 0.85 MAOB (1.00) MAOBNR4A2PARP10
SCHEMBL29817726 0.83 MAOB (0.73) MAOBNR4A2PARP10MAOASCN9A
SCHEMBL4228330 0.83 MAOB (0.73) MAOBNR4A2PARP10MAOASCN9A
SCHEMBL4228288 0.83 MAOB (0.73) MAOBNR4A2PARP10MAOASCN9A
SCHEMBL28488896 0.83 MAOB (0.73) MAOBNR4A2PARP10MAOASCN9A
SCHEMBL16213517 0.83 MAOB (0.73) MAOBNR4A2PARP10MAOASCN9A
SCHEMBL8276628 0.83 MAOB (0.73) MAOBNR4A2PARP10MAOASCN9A
Hydrochloric Acid SCHEMBL21313331 0.83 MAOB (1.00) MAOBNR4A2PARP10
SCHEMBL15171108 0.83 MAOB (0.73) MAOBNR4A2PARP10MAOA

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 7 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-20140342989-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 2014-11-20 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 (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-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, GBA1 MAOB 394/4885NR4A2 3025/4885PARP10 2170/4885
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH MAOB 312/4885NR4A2 2928/4885PARP10 2314/4885
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH MAOB 327/4885NR4A2 2918/4885PARP10 2258/4885

“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.