SCHEMBL2292844

SCHEMBL2292844

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
CTSA P10619 1/20 0.37
CD38 P28907 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2289038 0.95 NPC1 (0.43) CYP1A2NPC1RAB9AHCRTR1HCRTR2
SCHEMBL2281968 0.88 MITF (0.44) CYP1A2NPC1RAB9AHCRTR1HCRTR2
SCHEMBL2289056 0.85 GAA (0.39) CYP1A2NPC1RAB9AEDNRBEDNRA
SCHEMBL2283859 0.85 NPSR1 (0.44) CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2285853 0.81 NPC1 (0.40) CYP1A2NPC1RAB9AMEN1KMT2A
SCHEMBL3739810 0.79 NPC1 (0.37) CYP1A2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL2289383 0.79 NPSR1 (0.47) CYP1A2ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL3742998 0.79 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL2291581 0.79 CYP1A2 (0.36) CYP1A2HCRTR1HCRTR2ALDH1A1EDNRB
SCHEMBL2289019 0.79 NNMT (0.38) CYP1A2NPC1RAB9AHCRTR1HCRTR2

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 CYP1A2 41/4885NPC1 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.