SCHEMBL2375646

SCHEMBL2375646

COC(=O)C(Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 2/20 0.58
THRB P10828 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 2/20 0.57
CA12 O43570 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
ITGA4 P13612 1/20 0.56
ITGB7 P26010 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
CA2 P00918 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL2375644 1.00 ATM (0.68) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL3959739 1.00 ATM (0.68) ATML3MBTL1ALDH1A1THRBCYP2C9
Hydrochloric Acid SCHEMBL17822192 0.98 ATM (0.67) ATML3MBTL1ALDH1A1THRBCYP2C9
Hydrochloric Acid SCHEMBL1885087 0.98 ATM (0.67) ATML3MBTL1ALDH1A1THRBCYP2C9
Hydrochloric Acid SCHEMBL1885086 0.98 ATM (0.67) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL7260951 0.94 ATM (0.62) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL2375126 0.93 ATM (0.60) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL2375130 0.93 ATM (0.60) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL5075625 0.91 ATM (0.59) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL5887263 0.91 ATM (0.59) ATML3MBTL1ALDH1A1THRBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104610081-B Prepare method and the product of optical voidness N-methylamino acid esters 浙江威拓精细化学工业有限公司 2016-09-07 CN disclosed
US-8552208-B2 Analogs of tetramic acid University of Tennesseee Research Foundation (US) 2013-10-08 US disclosed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US disclosed
EP-2185506-A1 PYRROLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST OR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2010-05-19 EP disclosed
WO-2009035553-A2 ANALOGS OF TETRAMIC ACID UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-03-19 WO disclosed
US-20090069406-A1 Analogs of tetramic acid NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-03-12 US disclosed
WO-2009026407-A1 PYRROLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2009-02-26 WO disclosed
EP-0515548-A4 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-03-10 EP disclosed
US-5183810-A Hyptoensive agents MERCK & CO., INC. (US) 1993-02-02 US disclosed
EP-0515548-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
WO-1991012002-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 ATM 4400/4885L3MBTL1 3413/4885ALDH1A1 3251/4885
US-20090069406-A1 Analogs of tetramic acid TFRC, SLC7A1, FTH1 ATM 4467/4885L3MBTL1 3347/4885ALDH1A1 2743/4885

“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.