SCHEMBL975934

SCHEMBL975934

CCCCCN=C(NO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC2A1 P11166 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SMPD1 P17405 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
SCHEMBL9645767 0.83 NAAA (0.55) NAAAHDAC1
SCHEMBL9645773 0.83 NAAA (0.55) NAAAHDAC1
SCHEMBL5763433 0.80 ATM (0.42) CES2CES1MEN1KMT2AHDAC1
SCHEMBL3068162 0.78 NAAA (0.49) NAAAPTGS2KMT2AHDAC1
SCHEMBL3068165 0.78 NAAA (0.49) NAAAPTGS2KMT2AHDAC1
SCHEMBL11781851 0.77 CES2 (0.47) NAAACES2CES1PTGS2MEN1
SCHEMBL30762090 0.77 CES2 (0.47) NAAACES2CES1PTGS2MEN1
SCHEMBL4838305 0.75 CES2 (0.43) NAAACES2CES1PTGS2MEN1
SCHEMBL1078218 0.75 SLC2A1 (0.60) CES2CES1MEN1KMT2ASLC2A1
SCHEMBL4838301 0.75 CES2 (0.43) NAAACES2CES1PTGS2MEN1

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
EP-2184277-B1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2015-07-01 EP disclosed
US-8759355-B2 Aryl pyrimidine derivatives, preparation methods and pharmaceutical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2014-06-24 US disclosed
US-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INSTITUE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2011-01-13 US disclosed
EP-2184277-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2010-05-12 EP 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 (1 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-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF PPARD, PPARG, PPARA NAAA 2746/4885CES2 2881/4885CES1 276/4885

“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.