SCHEMBL2289411

SCHEMBL2289411

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
GRM4 Q14833 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
PAX8 Q06710 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2289104 0.86 ALDH1A1 (0.33) ALDH1A1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL2286121 0.84 HSP90AA1 (0.38) ALDH1A1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL2285840 0.83 NPC1 (0.34) ALDH1A1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL3747719 0.83 ALDH1A1 (0.33) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL2286990 0.81 ALDH1A1 (0.32) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL2284828 0.78 HSP90AA1 (0.33) ALDH1A1HSP90AA1HSP90AB1KDM4EHPGD
SCHEMBL2285608 0.77 HSP90AA1 (0.42) ALDH1A1HSP90AA1HSP90AB1LMNAMAPT
SCHEMBL2289364 0.76 KMT2A (0.35) ALDH1A1NPC1RAB9AHSP90AA1HTT
SCHEMBL2288906 0.76 NPC1 (0.31) ALDH1A1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL2286531 0.75 TDO2 (0.32) ALDH1A1NPC1RAB9AL3MBTL1

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 3 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

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 ALDH1A1 1037/4885NPC1 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.