SCHEMBL2285271

SCHEMBL2285271

COc1nc(OC)nc(C(=O)c2cccc(Br)c2N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
AHR P35869 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CD38 P28907 1/20 0.33
HPGD P15428 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
ADORA1 P30542 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
SCHEMBL3739810 0.86 NPC1 (0.37) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL2292177 0.83 F2 (0.40) KMT2ARAB9AALDH1A1HPGDLMNA
SCHEMBL2292864 0.83 MAPT (0.32) KMT2ACYP1A2NPC1RAB9AALDH1A1
SCHEMBL2285853 0.83 NPC1 (0.40) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL3834184 0.73 MLKL (0.33) KMT2AMEN1NPC1RAB9AAHR
SCHEMBL4227184 0.72 MMP1 (0.33) NPC1RAB9AALDH1A1CASP3SENP8
SCHEMBL1189085 0.72 ALDH1A1 (0.56) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL1188598 0.69 G6PD (0.39) KMT2AMEN1NPC1RAB9AAHR
SCHEMBL3742998 0.69 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL2289038 0.69 NPC1 (0.43) CYP1A2CYP2C9CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773124-B1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2012-08-22 EP disclosed
US-8008484-B2 Use of sulfonanilides as agricultural and horticultural fungicide BAYER CROPSCIENCE AG (DE) 2011-08-30 US disclosed
US-7829703-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2010-11-09 US disclosed
US-7482308-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2009-01-27 US disclosed
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-12-18 US disclosed
US-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide BAYER CROPSCIENCE AG (DE) 2007-09-20 US disclosed
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
EP-1750510-B1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2007-08-22 EP disclosed
EP-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
EP-1750510-A1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2007-02-14 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 WO disclosed
WO-2005096818-A1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2005-10-20 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 (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-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide CBR3, CYP51A1, CBR1 KMT2A 1322/4885MEN1 2408/4885CYP1A2 41/4885
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides PFAS, DDT, HDHD5 KMT2A 527/4885MEN1 4528/4885CYP1A2 676/4885
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES HDHD5, PFAS, DDT KMT2A 1191/4885MEN1 4071/4885CYP1A2 539/4885

“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.