SCHEMBL2289672

SCHEMBL2289672

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
ABL1 P00519 1/20 0.36
NNMT P40261 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
CHRM4 P08173 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL2288581 0.86 SMN1; SMN2 (0.40) NPC1RAB9ACYP1A2NPSR1CYP2C9
SCHEMBL2289019 0.86 NNMT (0.38) NPC1RAB9ACYP1A2NNMTALDH1A1
SCHEMBL2283801 0.84 CYP1A2 (0.35) NPC1RAB9ACYP1A2NPSR1CYP2C9
SCHEMBL2282974 0.84 SMN1; SMN2 (0.38) NPC1RAB9ACYP1A2NPSR1CYP2C9
SCHEMBL2289038 0.81 NPC1 (0.43) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL2288979 0.80 CYP1A2 (0.38) NPC1RAB9ACYP1A2NPSR1SMN1; SMN2
SCHEMBL2290901 0.80 CHRM4 (0.36) NPC1RAB9ACYP1A2NPSR1SMN1; SMN2
SCHEMBL2292213 0.79 CYP1A2 (0.41) NPC1RAB9ACYP1A2ALDH1A1EDNRB
SCHEMBL2286914 0.78 ALDH1A1 (0.35) CYP1A2NPSR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2289395 0.78 ALDH1A1 (0.43) NPC1RAB9ACYP1A2NPSR1SMN1; SMN2

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 NPC1 3382/4885RAB9A 2545/4885CYP1A2 41/4885

“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.