SCHEMBL1758728

SCHEMBL1758728

CC(=O)NCc1cc(C(C)=O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NQO2 P16083 1/20 0.43
SETDB1 Q15047 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
ADRB2 P07550 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL15641224 0.89 MAPT (0.45) MAPTKMT2ASMN1; SMN2HTTLMNA
SCHEMBL1758939 0.87 TSHR (0.54) MAPTKMT2ASMN1; SMN2HTTLMNA
SCHEMBL754563 0.86 CYP3A4 (0.46) MAPTKMT2ASMN1; SMN2HTTLMNA
SCHEMBL2914417 0.82 TSHR (0.46) MAPTKMT2ASMN1; SMN2HTTLMNA
SCHEMBL15660728 0.81 KMT2A (0.46) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL20830543 0.81 TSHR (0.46) MAPTKMT2ASMN1; SMN2LMNARAB9A
SCHEMBL13361795 0.80 PKM (0.52) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL1758761 0.80 SETDB1 (0.56) MAPTHTTRAB9AALDH1A1POLB
SCHEMBL1758747 0.79 MAPT (0.53) MAPTKMT2ASMN1; SMN2HTTLMNA
SCHEMBL1758748 0.79 MAPT (0.53) MAPTKMT2ASMN1; SMN2HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596940-B Heterocyclically substituted azolyl benzene fungicides DU PONT 2015-01-28 CN disclosed
US-8921360-B2 Heterobicycle-substituted azolyl benzene fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2014-12-30 US disclosed
EP-2719684-A1 METHOD OF MANUFACTURING BENZYLAMINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2014-04-16 EP disclosed
CN-103619808-A Process for producing benzylamine compound SUMITOMO CHEMICAL CO 2014-03-05 CN disclosed
EP-2493880-B1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES DU PONT (US) 2013-09-18 EP disclosed
EP-2493880-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. du Pont de Nemours and Company (US) 2012-09-05 EP disclosed
US-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-08-09 US disclosed
CN-102596940-A Heterocyclically substituted azolyl benzene fungicides DU PONT 2012-07-18 CN disclosed
WO-2011059619-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 WO disclosed
EP-1586552-B1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL IND CO (JP) 2010-08-25 EP disclosed
US-7326813-B2 Process for producing benzylamine derivative IHARA CHEMICAL INDUSTRY (JP) 2008-02-05 US disclosed
US-20060155141-A1 Process for producing benzylamine derivative ITO AKINORI 2006-07-13 US disclosed
EP-1586552-A1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-10-19 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 (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-20060155141-A1 Process for producing benzylamine derivative BRD7, BRD1, BRD2 MAPT 4655/4885KMT2A 404/4885SMN1; SMN2 4813/4885
US-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES CBR3, CBR1, CYP2S1 MAPT 4549/4885KMT2A 2373/4885SMN1; SMN2 3285/4885

“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.