SCHEMBL1720657

SCHEMBL1720657

COCc1cccc(C(=O)c2nc(OC)cc(OC)n2)c1N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK8 P49336 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7111143 0.89 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL1720572 0.82 CYP1A2 (0.45) MEN1KMT2AMTNR1AMTNR1BTP53
SCHEMBL6661414 0.82 HPGD (0.39) KDM4EALDH1A1MEN1RAB9AKMT2A
SCHEMBL3739810 0.80 NPC1 (0.37) ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2289383 0.80 NPSR1 (0.47) KDM4EALDH1A1KMT2APOLB
SCHEMBL2289038 0.80 NPC1 (0.43) NPC1RAB9A
SCHEMBL3742998 0.80 CYP1A2 (0.37)
SCHEMBL1720041 0.77 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL13197932 0.77 TP53 (0.34) MTNR1AMTNR1BTP53
SCHEMBL2283859 0.75 NPSR1 (0.44) KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334968-B1 PROCESS FOR PRODUCING SUBSTITUTED ANILINE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-01-11 EP disclosed
US-7820861-B2 chemical intermediate for a sulfonanilide of 4,6-dimethoxypyrmidine derivative herbicide IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-26 US disclosed
US-7772395-B2 Process for the preparation of phenyl 2-pyrimidinyl ketones and their novel intermediates BAYER CROPSCIENCE AG (DE) 2010-08-10 US disclosed
US-7772395-B2 Process for the preparation of phenyl 2-pyrimidinyl ketones and their novel intermediates BAYER CROPSCIENCE AG (DE) 2010-08-10 US disclosed
US-7772395-B2 Process for the preparation of phenyl 2-pyrimidinyl ketones and their novel intermediates BAYER CROPSCIENCE AG (DE) 2010-08-10 US disclosed
EP-1807401-B1 PROCESS FOR THE PREPARATION OF PHENYL 2-PYRIMIDINYL KETONES AND THEIR NOVEL INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2010-07-07 EP disclosed
US-7531654-B2 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-05-12 US disclosed
US-7521555-B2 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-04-21 US disclosed
US-7504503-B2 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-17 US disclosed
EP-2025665-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2009-02-18 EP disclosed
US-20070213561-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-13 US disclosed
EP-1807401-A1 PROCESS FOR THE PREPARATION OF PHENYL 2-PYRIMIDINYL KETONES AND THEIR NOVEL INTERMEDIATES Bayer CropScience AG (DE) 2007-07-18 EP disclosed
US-20060281765-A1 Process for producing substituted aniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-12-14 US disclosed
WO-2006045612-A1 PROCESS FOR THE PREPARATION OF PHENYL 2-PYRIMIDINYL KETONES AND THEIR NOVEL INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2006-05-04 WO disclosed
US-20040034251-A1 Process for production of substituted aniline compound 1HARA CHEMICAL INDUSTRY CO., LT.D. (JP) 2004-02-19 US disclosed
EP-1361218-A1 Trifluoromethanesulfonyl anilide derivatives, process for the preparation of them and herbicides containing them as the active ingredient IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2003-11-12 EP disclosed
EP-1101760-B1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM AND HERBICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT IHARA CHEMICAL IND CO (JP) 2003-10-15 EP disclosed
EP-1334968-A1 PROCESS FOR PRODUCING SUBSTITUTED ANILINE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2003-08-13 EP disclosed
US-6458748-B1 COMPOUND WHICH IS EFFECTIVE FOR THE REMOVAL OF A WIDE VARIETY OF WEEDS INCLUDING DIFFICULT-TO-CONTROL WEEDS EMERGING IN PADDY FIELD AND WHICH IS SAFE TO MAMMALS; A PROCESS FOR PRODUCTION THEREOF; A HERBICIDE CONTAINING THE COMPOUND AS AN IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-01 US disclosed
EP-1101760-A1 DI- OR TRI-FLUOROMETHANESULFONYL ANILIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM AND HERBICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-05-23 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 (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-20040034251-A1 Process for production of substituted aniline compound NAT1, CBR3, AADAC KDM4E 804/4885ALDH1A1 189/4885MEN1 4483/4885
US-20070213561-A1 Process for producing substituted aniline compound CBR3, AADAC, NAT1 KDM4E 709/4885ALDH1A1 207/4885MEN1 4270/4885
US-20060281765-A1 Process for producing substituted aniline compound CBR3, AADAC, NAT1 KDM4E 709/4885ALDH1A1 207/4885MEN1 4270/4885

“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.