SCHEMBL2286580

SCHEMBL2286580

COc1nc(OC)nc(C(F)c2cccc(Cl)c2N)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 1/20 0.33
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
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
ITGB1 P05556 2/20 0.31
ITGA4 P13612 2/20 0.31
DOT1L Q8TEK3 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL2286995 0.84 HSP90AA1 (0.37) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL2287286 0.84 HSP90AA1 (0.33) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL2287144 0.84 CYP1A2 (0.37) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL2283874 0.84 NPC1 (0.33) CYP1A2LMNAMAPTMAPK1
SCHEMBL3752163 0.83 ITGB1 (0.33) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL5506437 0.81 ITGB1 (0.34) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL2287297 0.81 HSP90AA1 (0.32) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL2286655 0.80 HSP90AA1 (0.41) HSP90AA1HSP90AB1CYP1A2ALDH1A1LMNA
SCHEMBL5505254 0.80 ITGB1 (0.35) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL2282987 0.79 NR4A2 (0.42) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6

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 3783/4885CYP1A2 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.