SCHEMBL992622

SCHEMBL992622

CCCC(=O)NC(C#N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSD P07339 1/20 0.39
NOD1 Q9Y239 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
FAAH O00519 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PRSS1 P07477 2/20 0.35
CTSG P08311 2/20 0.35
CTRB1 P17538 2/20 0.35
CMA1 P23946 2/20 0.35

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
SCHEMBL9756348 0.89 FAAH (0.46) NOD1SMN1; SMN2SLC6A5FAAHMEN1
SCHEMBL1967339 0.80 KMT2A (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8717933 0.73 FNTA (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1534909 0.73 KDM4E (0.40) SMN1; SMN2ALDH1A1MAPT
SCHEMBL9377229 0.71
SCHEMBL9651263 0.71 FAAH (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2269347 0.71 FAAH (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5401 0.71 FAAH (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8431191 0.70 KMT2A (0.45) NOD1SMN1; SMN2FAAHMEN1KMT2A
SCHEMBL4956491 0.69 DPP4 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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-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
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
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
US-5986136-A Photolabeling reagent PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-11-16 US disclosed
US-3985715-A Oxazolidone derivatives of chloromethylated polymers and methods of making the same OWENS-ILLINOIS, INC. (US) 1976-10-12 US disclosed
US-3970603-A Amino acid derivatives of chloromethylated polymers and methods of making the same OWENS-ILLINOIS, INC. (US) 1976-07-20 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 HDAC3 85/4885HDAC1 84/4885HDAC2 61/4885
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH HDAC3 100/4885HDAC1 92/4885HDAC2 48/4885
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH HDAC3 98/4885HDAC1 95/4885HDAC2 49/4885

“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.