SCHEMBL2286121

SCHEMBL2286121

COc1cc(OC)nc(C(Cl)c2cccc(Cl)c2N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 2/20 0.38
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
PNMT P11086 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CTSA P10619 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
NUDT1 P36639 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2285608 0.92 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1OPRM1OPRL1
SCHEMBL2292839 0.88 KDM4E (0.39) HSP90AA1HSP90AB1ALDH1A1NPSR1CYP1A2
SCHEMBL2286974 0.86 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL2289104 0.84 ALDH1A1 (0.33) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL2285840 0.84 NPC1 (0.34) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL2289411 0.84 ALDH1A1 (0.33) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL2286995 0.84 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL2292233 0.84 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL2287286 0.84 HSP90AA1 (0.33) HSP90AA1HSP90AB1ALDH1A1OPRM1OPRL1
SCHEMBL2288906 0.83 NPC1 (0.31) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A

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 HSP90AA1 3876/4885HSP90AB1 3783/4885ALDH1A1 1037/4885

“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.