SCHEMBL2913044

SCHEMBL2913044

O=C(NC(=O)N(Cl)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC3 O15379 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
IDO1 P14902 1/20 0.45
ALOX15 P16050 1/20 0.45
CA9 Q16790 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL10627547 0.82 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL27521078 0.81 L3MBTL1 (0.55) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL27666370 0.78 NPSR1 (0.38) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL10626822 0.78 TDP1 (0.47) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL6691760 0.76 NPSR1 (0.36) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL2068767 0.76 NPSR1 (0.43) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL11449286 0.76 NPSR1 (0.43) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL8979288 0.76 L3MBTL1 (0.52) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL76489 0.75 ALDH1A1 (0.67) TDP1ALDH1A1NPC1RAB9AMEN1
SCHEMBL8074109 0.75 ALDH1A1 (0.52) L3MBTL1ALDH1A1NPC1RAB9AMEN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148424-C Coatable biocidal composition 3M 2004-05-05 CN claimed
EP-0861302-B1 COATABLE BIOCIDAL COMPOSITIONS MINNESOTA MINING & MFG (US) 2001-11-07 EP claimed
EP-0861302-A1 COATABLE BIOCIDAL COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-09-02 EP claimed
CN-1190422-A Coatable biocidal composition MINNESOTA MINING & MFG (US) 1998-08-12 CN claimed
WO-1997003135-A1 COATABLE BIOCIDAL COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-30 WO claimed
US-5585407-A SUSTAINED RELEASE OF MICROBIOCIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-17 US claimed
US-9420780-B2 Composition, method for producing the composition, and phytosanitary formulation containing same RHODIA OPERATIONS (FR) 2016-08-23 US disclosed
US-9090538-B2 Uses of esteramide compounds RHODIA OPERATIONS (FR) 2015-07-28 US disclosed
US-8981148-B2 Esteramide compounds, methods for preparing same, and uses thereof RHODIA OPERATIONS (FR) 2015-03-17 US disclosed
US-20140256554-A1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME RHODIA OPERATIONS (FR) 2014-09-11 US disclosed
CN-103874410-A Composition, method for producing the composition, and phytosanitary formulation containing same RHODIA OPERATIONS 2014-06-18 CN disclosed
US-20130210933-A1 NOVEL USES OF ESTERAMIDE COMPOUNDS RHODIA OPERATIONS (FR) 2013-08-15 US disclosed
US-20130210634-A1 NOVEL ESTERAMIDE COMPOUNDS, METHODS FOR PREPARING SAME, AND USES THEREOF RHODIA OPERATIONS (FR) 2013-08-15 US disclosed
CN-1148424-C Coatable biocidal composition 3M 2004-05-05 CN disclosed
EP-0861302-B1 COATABLE BIOCIDAL COMPOSITIONS MINNESOTA MINING & MFG (US) 2001-11-07 EP disclosed
EP-0861302-A1 COATABLE BIOCIDAL COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-09-02 EP disclosed
CN-1190422-A Coatable biocidal composition MINNESOTA MINING & MFG (US) 1998-08-12 CN disclosed
WO-1997003135-A1 COATABLE BIOCIDAL COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-30 WO disclosed
US-5585407-A SUSTAINED RELEASE OF MICROBIOCIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-17 US disclosed
US-4867972-A Novel surface-active compositions containing polydicarboxylic acid polymer and surfactant RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-09-19 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-20140256554-A1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME C1R, CNR2, SRR TDP1 4386/4885L3MBTL1 4672/4885ALDH1A1 4285/4885
US-20130210933-A1 NOVEL USES OF ESTERAMIDE COMPOUNDS CECR2, CES2, ERLIN2 TDP1 4156/4885L3MBTL1 2694/4885ALDH1A1 4066/4885
US-20130210634-A1 NOVEL ESTERAMIDE COMPOUNDS, METHODS FOR PREPARING SAME, AND USES THEREOF CNR2, CRHR2, HRH3 TDP1 4678/4885L3MBTL1 4256/4885ALDH1A1 2758/4885

“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.