SCHEMBL2284490

SCHEMBL2284490

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CYP1A2 P05177 1/20 0.34
EDNRB P24530 3/20 0.34
EDNRA P25101 3/20 0.34
CTSA P10619 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
SLC6A3 Q01959 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 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
SCHEMBL2289444 0.92 EDNRB (0.39) NPC1RAB9ACYP1A2EDNRBEDNRA
SCHEMBL2289583 0.88 KMT2A (0.34) KMT2ANPC1RAB9ACYP1A2ALDH1A1
SCHEMBL2289391 0.86 KMT2A (0.36) KMT2ANPC1RAB9ACYP1A2EDNRB
SCHEMBL2291626 0.85 HSP90AA1 (0.41) KMT2AEDNRBEDNRAALDH1A1HTT
SCHEMBL2289364 0.85 KMT2A (0.35) KMT2ANPC1RAB9ACYP1A2EDNRB
SCHEMBL13078652 0.84 CXCR2 (0.33) NPC1RAB9ACYP1A2EDNRBEDNRA
SCHEMBL2286465 0.84 GAA (0.39) KMT2ANPC1RAB9ACYP1A2EDNRB
SCHEMBL2291751 0.83 KMT2A (0.34) KMT2ANPC1RAB9ACYP1A2EDNRB
SCHEMBL3741461 0.80 NPC1 (0.35) NPC1RAB9ACYP1A2EDNRBEDNRA
SCHEMBL2286645 0.79 ALDH1A1 (0.34) KMT2ANPC1RAB9ACYP1A2EDNRB

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 KMT2A 1322/4885NPC1 3382/4885RAB9A 2545/4885

“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.