SCHEMBL2289428

SCHEMBL2289428

Cc1cc(C)nc(C(C)c2cccc(F)c2N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NR4A1 P22736 1/20 0.34
SLC6A2 P23975 1/20 0.34
GRM5 P41594 1/20 0.34
POLB P06746 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ADORA2B P29275 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
GFER P55789 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
SCHEMBL2285482 0.86 ADORA1 (0.31) KMT2AMEN1ADORA1SMN1; SMN2
SCHEMBL2282195 0.84 KMT2A (0.35) KMT2AMEN1NR4A1SLC6A2GRM5
SCHEMBL2289583 0.83 KMT2A (0.34) KMT2AMEN1NR4A1SLC6A2GRM5
SCHEMBL2291781 0.83 KMT2A (0.37) KMT2AMEN1NR4A1SLC6A2GRM5
SCHEMBL2285486 0.81 NR4A2 (0.43) KMT2AMEN1NR4A1POLBCYP1A2
SCHEMBL2282271 0.81 MEN1 (0.35) KMT2AMEN1SLC6A2GRM5TDP1
SCHEMBL2288811 0.81 NPC1 (0.35) CYP1A2KDM4EALDH1A1RAB9AHPGD
SCHEMBL2290422 0.79 NPC1 (0.33) CYP1A2ALDH1A1MAPK1RAB9ALMNA
SCHEMBL5501978 0.79 KMT2A (0.36) KMT2AMEN1SLC6A2GRM5TDP1
SCHEMBL2289391 0.74 KMT2A (0.36) KMT2AMEN1CYP1A2ALDH1A1HCRTR1

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 KMT2A 1322/4885MEN1 2408/4885NR4A1 567/4885

“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.