SCHEMBL2292233

SCHEMBL2292233

COc1cc(OC)nc(C(O)c2cccc(Cl)c2N)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.37
HSP90AB1 P08238 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
CTSA P10619 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KCNH2 Q12809 1/20 0.33
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
CYP1A2 P05177 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL2291626 0.92 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1KCNJ5KCNJ3
SCHEMBL2292858 0.88 KDM4E (0.39) HSP90AA1HSP90AB1NPSR1ALDH1A1CYP1A2
SCHEMBL3752163 0.84 ITGB1 (0.33) HSP90AA1HSP90AB1CYP3A4CYP2D6ALDH1A1
SCHEMBL2286974 0.84 HSP90AA1 (0.41) HSP90AA1HSP90AB1NPSR1CYP3A4CYP2D6
SCHEMBL2286121 0.84 HSP90AA1 (0.38) HSP90AA1HSP90AB1NPSR1CYP3A4CYP2D6
SCHEMBL3747719 0.83 ALDH1A1 (0.33) CTSANPC1ALDH1A1RAB9A
SCHEMBL2286995 0.83 HSP90AA1 (0.37) HSP90AA1HSP90AB1NPSR1CYP3A4CYP2D6
SCHEMBL3746106 0.83 ALDH1A1 (0.33) CTSANPC1ALDH1A1RAB9A
SCHEMBL2287015 0.83 CYP3A4 (0.31) HSP90AA1HSP90AB1NPSR1CYP3A4CYP2D6
SCHEMBL2289444 0.83 EDNRB (0.39) CTSANPC1ALDH1A1RAB9ACYP1A2

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 HSP90AA1 3876/4885HSP90AB1 3783/4885NPSR1 197/4885
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides PFAS, DDT, HDHD5 HSP90AA1 516/4885HSP90AB1 347/4885NPSR1 1844/4885
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES HDHD5, PFAS, DDT HSP90AA1 658/4885HSP90AB1 435/4885NPSR1 2060/4885

“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.