SCHEMBL2289019

SCHEMBL2289019

COc1cc(OC)nc(C(=O)c2ccc(F)c(F)c2N)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.38
CYP1A2 P05177 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK14 Q16539 3/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
CTSA P10619 1/20 0.34
CHRM4 P08173 1/20 0.34
GRM5 P41594 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL2282974 0.86 SMN1; SMN2 (0.38) NNMTCYP1A2POLBTDP1NPC1
SCHEMBL2289672 0.86 NPC1 (0.37) NNMTCYP1A2POLBTDP1NPC1
SCHEMBL2289038 0.83 NPC1 (0.43) CYP1A2NPC1RAB9AMAPK14GAA
SCHEMBL2288420 0.83 MAPK14 (0.39) NNMTCYP1A2POLBNPC1RAB9A
SCHEMBL2292213 0.81 CYP1A2 (0.41) CYP1A2POLBNPC1RAB9AKDM4E
SCHEMBL2283801 0.81 CYP1A2 (0.35) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2291581 0.80 CYP1A2 (0.36) CYP1A2POLBMAPK14CES2CES1
SCHEMBL2292844 0.79 CYP1A2 (0.40) CYP1A2NPC1RAB9AALDH1A1GAA
SCHEMBL2288581 0.77 SMN1; SMN2 (0.40) NNMTCYP1A2POLBTDP1NPC1
SCHEMBL2290901 0.77 CHRM4 (0.36) CYP1A2POLBNPC1RAB9AKDM4E

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 5 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-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide BAYER CROPSCIENCE AG (DE) 2007-09-20 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 (1 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 NNMT 1616/4885CYP1A2 41/4885POLB 4783/4885

“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.