SCHEMBL2290901

SCHEMBL2290901

COc1cc(OC)nc(C(=O)c2c(Cl)ccc(F)c2N)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.36
CYP1A2 P05177 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 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
SCHEMBL2288979 0.90 CYP1A2 (0.38) CHRM4CYP1A2NPC1RAB9ATDO2
SCHEMBL2292213 0.89 CYP1A2 (0.41) CYP1A2NPC1RAB9AALDH1A1KDM4E
SCHEMBL2284904 0.89 ALDH1A1 (0.38) CYP1A2RAB9AALDH1A1HSD17B10KDM4E
Isopropylamine SCHEMBL8953470 0.82 KDM4E (0.40) ALDH1A1HSD17B10KDM4E
SCHEMBL2282974 0.80 SMN1; SMN2 (0.38) CYP1A2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL2289672 0.80 NPC1 (0.37) CHRM4CYP1A2NPC1RAB9AALDH1A1
SCHEMBL997634 0.79 KDM4E (0.50) ALDH1A1HSD17B10KDM4E
Ammonia Solution, Strong SCHEMBL8953477 0.78 NPC1 (0.34) CYP1A2NPC1RAB9AALDH1A1KDM4E
SCHEMBL8809985 0.78 KDM4E (0.49) ALDH1A1HSD17B10KDM4E
SCHEMBL2283801 0.77 CYP1A2 (0.35) CHRM4CYP1A2NPC1RAB9AALDH1A1

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 CHRM4 1859/4885CYP1A2 41/4885NPC1 3382/4885

“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.