SCHEMBL2288979

SCHEMBL2288979

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHRM4 P08173 1/20 0.36
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 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
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
POLB P06746 2/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 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
SCHEMBL2290901 0.90 CHRM4 (0.36) CYP1A2NPC1RAB9ACHRM4TDO2
SCHEMBL2292213 0.89 CYP1A2 (0.41) CYP1A2NPC1RAB9AALDH1A1HCRTR1
SCHEMBL2284904 0.89 ALDH1A1 (0.38) CYP1A2RAB9AALDH1A1HPGDTSHR
Isopropylamine SCHEMBL8953470 0.82 KDM4E (0.40) ALDH1A1HSD17B10
SCHEMBL2282974 0.80 SMN1; SMN2 (0.38) CYP1A2NPC1RAB9AALDH1A1HPGD
SCHEMBL2289672 0.80 NPC1 (0.37) CYP1A2NPC1RAB9ACHRM4ALDH1A1
Ammonia Solution, Strong SCHEMBL8953477 0.78 NPC1 (0.34) CYP1A2NPC1RAB9AALDH1A1HPGD
SCHEMBL2283801 0.77 CYP1A2 (0.35) CYP1A2NPC1RAB9ACHRM4ALDH1A1
SCHEMBL2289383 0.77 NPSR1 (0.47) CYP1A2ALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL2288581 0.77 SMN1; SMN2 (0.40) CYP1A2NPC1RAB9AALDH1A1HPGD

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.