SCHEMBL3549181

SCHEMBL3549181

O=C(CCc1ccc(O)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.63
MAPT P10636 4/20 0.63
HDAC3 O15379 1/20 0.58
EGFR P00533 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
KDR P35968 1/20 0.56
RAF1 P04049 2/20 0.54
BRAF P15056 2/20 0.54
CDK8 P49336 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
KCNJ5 P48544 1/20 0.54

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
SCHEMBL3553123 0.90 MAPT (0.62) LMNAMAPTHDAC3EGFRHDAC4
SCHEMBL3544292 0.88 LMNA (0.65) LMNAMAPTHDAC3EGFRHDAC4
SCHEMBL3544378 0.85 LMNA (0.62) LMNAMAPTHDAC3EGFRHDAC4
SCHEMBL2361380 0.84 MAPT (0.67) LMNAMAPTKDRRAF1BRAF
SCHEMBL13547727 0.83 MAPT (0.82) LMNAMAPTKDRRAF1BRAF
SCHEMBL14192702 0.81 MAPT (0.61) LMNAMAPTHDAC3EGFRHDAC4
SCHEMBL19966905 0.81 MAPT (0.61) LMNAMAPTHDAC3EGFRHDAC4
SCHEMBL3542181 0.81 HDAC3 (0.58) LMNAMAPTHDAC3EGFRHDAC4
SCHEMBL3544690 0.81 RAF1 (0.61) LMNAMAPTKDRRAF1BRAF
SCHEMBL14192701 0.81 CDK8 (0.69) LMNAMAPTKDRRAF1BRAF

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 4 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 disclosed
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-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 LMNA 1920/4885MAPT 3192/4885HDAC3 556/4885

“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.