SCHEMBL3540485

SCHEMBL3540485

CC(C)c1cccc(NC(=O)C=Cc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP1 P03956 5/20 0.42
MMP2 P08253 5/20 0.42
MMP9 P14780 5/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMPD3 Q9NY59 1/20 0.41
LMNA P02545 1/20 0.41
KDM1A O60341 2/20 0.41
BRAF P15056 2/20 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
SCHEMBL3540479 1.00 TRPV1 (0.49) TRPV1BLMTDP1MMP1MMP2
SCHEMBL3550589 0.87 BLM (0.47) TRPV1BLMTDP1MMP1MMP2
SCHEMBL3549255 0.87 MAOB (0.53) TRPV1BLMTDP1MMP1MMP2
SCHEMBL3550586 0.87 BLM (0.47) TRPV1BLMTDP1MMP1MMP2
SCHEMBL3549251 0.87 MAOB (0.53) TRPV1BLMTDP1MMP1MMP2
SCHEMBL3544981 0.87 MAPT (0.52) BLMTDP1MMP1MMP2MMP9
SCHEMBL3544987 0.87 MAPT (0.52) BLMTDP1MMP1MMP2MMP9
SCHEMBL3544963 0.87 TRPV1 (0.48) TRPV1BLMTDP1MMP1MMP2
SCHEMBL3544956 0.87 TRPV1 (0.48) TRPV1BLMTDP1MMP1MMP2
SCHEMBL3544539 0.85 LMNA (0.56) BLMTDP1MAPTMEN1KMT2A

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
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US claimed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 TRPV1 710/4885BLM 4800/4885TDP1 2815/4885

“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.