SCHEMBL3543352

SCHEMBL3543352

CC(C)(C)c1cccc(NC(=O)/C=C/c2cccc(Oc3ccnc(C4=NCCCN4)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAF1 P04049 3/20 0.42
BRAF P15056 4/20 0.42
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
KDM1A O60341 2/20 0.40
ALDH1A1 P00352 2/20 0.40
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3543356 1.00 TRPV1 (0.45) TRPV1LMNAMAPTMEN1HSP90AA1
SCHEMBL3544956 0.95 TRPV1 (0.48) TRPV1LMNAMAPTMEN1HSP90AA1
SCHEMBL3544963 0.95 TRPV1 (0.48) TRPV1LMNAMAPTMEN1HSP90AA1
SCHEMBL3541878 0.92 LMNA (0.54) LMNAMAPTMEN1HSP90AA1PKM
SCHEMBL3541875 0.92 LMNA (0.54) LMNAMAPTMEN1HSP90AA1PKM
SCHEMBL3545338 0.89 BLM (0.46) TRPV1LMNAMAPTMEN1HSP90AA1
SCHEMBL3545342 0.89 BLM (0.46) TRPV1LMNAMAPTMEN1HSP90AA1
SCHEMBL3544546 0.87 LMNA (0.56) LMNAMAPTMEN1HSP90AA1PKM
SCHEMBL3544539 0.87 LMNA (0.56) LMNAMAPTMEN1HSP90AA1PKM
SCHEMBL3537729 0.84 BRAF (0.43) TRPV1LMNAMAPTMEN1HSP90AA1

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
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
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 710/4885LMNA 1920/4885MAPT 3192/4885

“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.