SCHEMBL5739486

SCHEMBL5739486

FC(F)(F)c1ccc(Nc2ncnc3cc(Br)ccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.63
TRPV1 Q8NER1 1/20 0.60
CNR1 P21554 1/20 0.56
ALK Q9UM73 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDR P35968 2/20 0.54
EPHB2 P29323 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
NPC1 O15118 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
GAK O14976 1/20 0.52
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL5822383 0.90 ALK (0.53) EGFRTRPV1ALKKDM4EMEN1
SCHEMBL5740105 0.89 EGFR (0.69) EGFRTRPV1CNR1MEN1KMT2A
SCHEMBL5739752 0.84 CNR1 (0.69) EGFRTRPV1CNR1KDM4EMEN1
SCHEMBL18013046 0.83 EGFR (0.66) EGFRTRPV1CNR1ALKKDR
SCHEMBL4974487 0.83 TRPV1 (0.62) EGFRTRPV1MEN1KMT2AEPHB2
SCHEMBL31514584 0.82 EGFR (0.59) EGFRKDREPHB2ABCG2
SCHEMBL11088081 0.81 EGFR (0.69) EGFRTRPV1KDM4EKDRABCG2
SCHEMBL5740663 0.81 EGFR (0.59) EGFRTRPV1CNR1KDRABCG2
SCHEMBL5569008 0.80 ABCG2 (0.72) EGFRTRPV1CNR1MEN1KMT2A
SCHEMBL5739760 0.80 TRPV1 (0.60) EGFRTRPV1CNR1KDRABCG2

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
CN-1890223-A Capsaicin receptor agonists NEUROGEN CORP (US) 2007-01-03 CN claimed
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 US claimed
EP-1678149-A2 4-AMINO(AZA)QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2006-07-12 EP claimed
WO-2005042498-A2 4-AMINO (AZA) QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2005-05-12 WO claimed
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 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-20060194805-A1 Capsaicin receptor agonists TRPV1, HCAR1, CNR1 EGFR 3398/4885TRPV1 1/4885CNR1 3/4885

“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.