SCHEMBL3546327

SCHEMBL3546327

O=C(C=Cc1cccc(O)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.66
MMP2 P08253 14/20 0.66
MMP9 P14780 14/20 0.66
MAOB P27338 3/20 0.65
KDR P35968 2/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NAMPT P43490 1/20 0.56

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
SCHEMBL3546322 1.00 MMP1 (0.66) MMP1MMP2MMP9MAOBKDR
SCHEMBL11796823 0.87 KDR (0.64) MMP1MMP2MMP9MAOBKDR
SCHEMBL11803033 0.85 KDR (0.70) KDRHDAC1HDAC8HDAC6MEN1
SCHEMBL11796925 0.83 HDAC6 (0.74) MMP1MMP2MMP9KDRHDAC1
SCHEMBL13547728 0.82 MAPT (0.67) KDRHDAC1HDAC8HDAC6MEN1
SCHEMBL3544621 0.81 LMNA (0.53) KDRLMNAMAPTNPSR1
SCHEMBL3544626 0.81 LMNA (0.53) KDRLMNAMAPTNPSR1
SCHEMBL28316655 0.79 MMP1 (1.00) MMP1MMP2MMP9MAOB
SCHEMBL13675773 0.79 KDR (0.68) MAOBKDRHDAC1HDAC8HDAC6
SCHEMBL1791120 0.79 NOTUM (0.54) MAOBKDRHDAC1HDAC8HDAC6

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 2 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-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 MMP1 2962/4885MMP2 1919/4885MMP9 2438/4885

“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.