SCHEMBL2292864

SCHEMBL2292864

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CFTR P13569 1/20 0.32
PARP1 P09874 2/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
RAB9A P51151 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3742998 0.86 CYP1A2 (0.37) NPSR1CYP1A2GAA
SCHEMBL2285271 0.83 KMT2A (0.35) MAPTHTTNPSR1RXFP1HSD17B10
SCHEMBL2292177 0.83 F2 (0.40) NPSR1ALDH1A1RAB9AGAAKMT2A
SCHEMBL2285853 0.83 NPC1 (0.40) NPC1CYP1A2RAB9AKMT2A
SCHEMBL3826176 0.73 MLKL (0.35)
SCHEMBL4217979 0.72
SCHEMBL505590 0.72 ALDH1A1 (0.56) MAPTHSD17B10ALDH1A1CFTRGAA
SCHEMBL3739810 0.69 NPC1 (0.37) NPSR1ALDH1A1NPC1CYP1A2RAB9A
SCHEMBL2289038 0.69 NPC1 (0.43) NPC1CYP1A2RAB9AGAA
SCHEMBL2289383 0.69 NPSR1 (0.47) NPSR1ALDH1A1CYP1A2GAAKMT2A

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 8 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
WO-2009024251-A2 USE OF SULFONANILIDE COMPOUNDS AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2009-02-26 WO disclosed
US-7482308-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2009-01-27 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-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 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 (2 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 MAPT 4582/4885HTT 1936/4885NPSR1 197/4885
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides PFAS, DDT, HDHD5 MAPT 4275/4885HTT 1802/4885NPSR1 1844/4885

“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.