SCHEMBL3545338

SCHEMBL3545338

CC(C)(C)c1cc(NC(=O)/C=C/c2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPV1 Q8NER1 4/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SMPD3 Q9NY59 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
BCHE P06276 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL3545342 1.00 BLM (0.46) BLMTDP1TRPV1MAPTLMNA
SCHEMBL3544956 0.94 TRPV1 (0.48) BLMTDP1TRPV1MAPTLMNA
SCHEMBL3544963 0.94 TRPV1 (0.48) BLMTDP1TRPV1MAPTLMNA
SCHEMBL3543352 0.89 TRPV1 (0.45) BLMTDP1TRPV1MAPTLMNA
SCHEMBL3543356 0.89 TRPV1 (0.45) BLMTDP1TRPV1MAPTLMNA
SCHEMBL3547537 0.88 MEN1 (0.43) BLMTDP1MAPTLMNAALDH1A1
SCHEMBL3547534 0.88 MEN1 (0.43) BLMTDP1MAPTLMNAALDH1A1
SCHEMBL3544546 0.87 LMNA (0.56) BLMTDP1MAPTLMNAALDH1A1
SCHEMBL3544539 0.87 LMNA (0.56) BLMTDP1MAPTLMNAALDH1A1
SCHEMBL3547584 0.87 KMT2A (0.47) BLMTDP1TRPV1MAPTLMNA

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 BLM 4800/4885TDP1 2815/4885TRPV1 710/4885

“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.