SCHEMBL7145589

SCHEMBL7145589

COc1cc2c(Oc3ccc(Br)cc3F)nc(OCc3ccccc3)nc2cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
ELANE P08246 1/20 0.44
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
EGFR P00533 6/20 0.42
KDR P35968 4/20 0.42
RET P07949 1/20 0.42
KIF5B P33176 1/20 0.42
TLR9 Q9NR96 3/20 0.42
TLR7 Q9NYK1 3/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 1/20 0.41
MET P08581 2/20 0.40
MST1R Q04912 1/20 0.40
KDM1A O60341 1/20 0.40
CSF1R P07333 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL7138839 0.87 EGFR (0.43) TRPA1EGFRPDGFRBCSF1RFLT4
SCHEMBL4421590 0.87 TRPA1 (0.61) TRPA1IRAK1IRAK4EGFRKDR
SCHEMBL30216641 0.82 MET (0.58) EGFRKDRMETMST1R
SCHEMBL21408242 0.82 MET (0.58) EGFRKDRMETMST1R
SCHEMBL7145582 0.82 TRPA1 (0.58) TRPA1IRAK1IRAK4EGFRKDR
SCHEMBL7145586 0.78 TRPA1 (0.53) TRPA1IRAK1IRAK4EGFRKDR
SCHEMBL4119030 0.76 KIT (0.47) ELANEIRAK1IRAK4CTSVCTSL
SCHEMBL4692996 0.75 TRPA1 (0.59) TRPA1EGFRKDRRETKIF5B
SCHEMBL18550520 0.75 TRPA1 (0.61) TRPA1IRAK1IRAK4EGFRKDR
SCHEMBL30002061 0.75 TRPA1 (0.61) TRPA1IRAK1IRAK4EGFRKDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 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-20030225111-A1 Therapy VEGFA, AQP1, FLT1 TRPA1 2378/4885ELANE 1239/4885IRAK1 1917/4885

“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.