SCHEMBL2287221

SCHEMBL2287221

COc1cc(C(F)(F)F)nc(C(F)c2cccc(F)c2N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
KDM4E B2RXH2 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 2/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
CYP1A2 P05177 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
KRAS P01116 1/20 0.31
SOS1 Q07889 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL2288861 0.89 NPC1 (0.35) KDM4EL3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL2284534 0.87 KDM4E (0.39) GAAKDM4EL3MBTL1MAPTHSD17B10
SCHEMBL2287340 0.87 GAA (0.39) GAAKDM4EL3MBTL1MAPTHSD17B10
SCHEMBL2286465 0.87 GAA (0.39) GAAKDM4EL3MBTL1MAPTHSD17B10
SCHEMBL2285229 0.85 GAA (0.38) GAAKDM4EL3MBTL1MAPTHSD17B10
SCHEMBL2289391 0.84 KMT2A (0.36) KMT2AALDH1A1CYP1A2NPC1RAB9A
SCHEMBL2283874 0.77 NPC1 (0.33) MAPTCYP1A2NPC1RAB9ALMNA
SCHEMBL2288811 0.76 NPC1 (0.35) KDM4EALDH1A1HPGDCYP1A2NPC1
SCHEMBL2292839 0.75 KDM4E (0.39) GAAKDM4EL3MBTL1MAPTHSD17B10
SCHEMBL2286995 0.75 HSP90AA1 (0.37) KDM4ENPSR1ALDH1A1HPGDCYP1A2

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 3 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

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 GAA 2292/4885KDM4E 1374/4885L3MBTL1 665/4885

“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.