SCHEMBL166517

SCHEMBL166517

C=CCSC1C(=O)Nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.43
MAPT P10636 3/20 0.40
GSK3B P49841 2/20 0.39
TDO2 P48775 2/20 0.38
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
BRPF1 P55201 1/20 0.34
CREBBP Q92793 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5873721 0.73 MAPT (0.49) IDO1MAPTGSK3BTDO2ALDH1A1
SCHEMBL6243496 0.73 IDO1 (0.46) IDO1MAPTGSK3BTDO2ALDH1A1
SCHEMBL1455790 0.72 IDO1 (0.58) IDO1MAPTGSK3BTDO2ALDH1A1
SCHEMBL11868356 0.67 IDO1 (0.41) IDO1MAPTGSK3BTDO2ALDH1A1
SCHEMBL30088920 0.66 BRPF1 (0.53) IDO1MAPTGSK3BTDO2ALDH1A1
SCHEMBL260994 0.66 BRPF1 (0.53) IDO1MAPTGSK3BTDO2ALDH1A1
SCHEMBL19054962 0.66 BRPF1 (0.53) IDO1MAPTGSK3BTDO2ALDH1A1
SCHEMBL8181705 0.66 IDO1 (0.50) IDO1MAPTGSK3BTDO2ALDH1A1
SCHEMBL9159527 0.66 IDO1 (0.64) IDO1MAPTGSK3BTDO2L3MBTL1
Benzyl Bromide SCHEMBL28476577 0.66 IDO1 (0.40) IDO1MAPTGSK3BTDO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895458-B1 CONTINUOUS PROCESS FOR THE PREPARATION OF ORTHO-SUBSTITUTED ANILINES IN A FLOW REACTOR BAYER CROPSCIENCE AG (DE) 2016-08-17 EP claimed
US-20150210637-A1 CONTINUOUS METHOD FOR PRODUCING ORTHO-SUBSTITUTED ANILINES IN A FLOW REACTOR BAYER CROPSCIENCE AG (DE) 2015-07-30 US claimed
EP-2895458-A1 CONTINUOUS METHOD FOR PRODUCING ORTHO-SUBSTITUTED ANILINES IN A FLOW REACTOR Bayer CropScience AG (DE) 2015-07-22 EP claimed
EP-2655346-B1 PROCESS FOR THE PREPARATION OF 2-(TRIAZINYLCARBONYL)SULFONANILIDES BAYER IP GMBH (DE) 2015-01-21 EP claimed
WO-2014041052-A1 CONTINUOUS METHOD FOR PRODUCING ORTHO-SUBSTITUTED ANILINES IN A FLOW REACTOR BAYER CROPSCIENCE AG (DE) 2014-03-20 WO claimed
US-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US claimed
EP-2655346-A2 METHOD FOR PRODUCING 2-(TRIAZINYLCARBONYL) SULFONANILIDES Bayer Intellectual Property GmbH (DE) 2013-10-30 EP claimed
WO-2012084857-A2 METHOD FOR PRODUCING 2-(TRIAZINYLCARBONYL) SULFONANILIDES BAYER CROPSCIENCE AG (DE) 2012-06-28 WO claimed
US-9527808-B2 Continuous method for producing ortho-substituted anilines in a flow reactor BAYER CROPSCIENCE AG (DE) 2016-12-27 US disclosed
US-9522904-B2 Method for producing triazinyl-substituted oxindoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-12-20 US disclosed
US-9512088-B2 Method for producing N-sulfonyl-substituted oxindoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-12-06 US disclosed
EP-2895458-B1 CONTINUOUS PROCESS FOR THE PREPARATION OF ORTHO-SUBSTITUTED ANILINES IN A FLOW REACTOR BAYER CROPSCIENCE AG (DE) 2016-08-17 EP disclosed
EP-2655360-B1 METHOD FOR PRODUCING N-SULFONYL-SUBSTITUTED OXINDOLES BAYER IP GMBH (DE) 2016-04-20 EP disclosed
EP-2655361-B1 PROCESS FOR THE PREPARATION OF TRIAZINYL SUBSTITUTED OXINDOLES BAYER IP GMBH (DE) 2016-02-24 EP disclosed
WO-2012028162-A1 PROCESS FOR PREPARING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
EP-2424835-A1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATE PRODUCTS FOR SYNTHESES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
US-20110275832-A1 Process for Preparing Substituted 1,3-dihydro-2H-indol-2-ones BAYER CROPSCIENCE AG (DE) 2011-11-10 US disclosed
US-20110118478-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
WO-2010127786-A1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATE PRODUCTS FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2010-11-11 WO disclosed
US-3983242-A TRANQUILIZERS, MUSCLE RELAXANTS, SEDATIVE-HYPNOTICS SANDOZ, INC. (US) 1976-09-28 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 (4 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-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides AOX1, SULT1E1, CBR1 IDO1 41/4885MAPT 4102/4885GSK3B 3365/4885
US-20110118478-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES TH, OXSR1, AOX1 IDO1 56/4885MAPT 1762/4885GSK3B 2588/4885
US-20150210637-A1 CONTINUOUS METHOD FOR PRODUCING ORTHO-SUBSTITUTED ANILINES IN A FLOW REACTOR CYP4B1, CYP4X1, CYP4F2 IDO1 563/4885MAPT 3795/4885GSK3B 3877/4885
US-20110275832-A1 Process for Preparing Substituted 1,3-dihydro-2H-indol-2-ones IDO1, IDO2, TDO2 IDO1 1/4885MAPT 716/4885GSK3B 1351/4885

“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.