SCHEMBL3549255

SCHEMBL3549255

O=C(C=Cc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.53
MMP1 P03956 4/20 0.53
MMP2 P08253 4/20 0.53
MMP9 P14780 4/20 0.53
MAOA P21397 4/20 0.50
EGFR P00533 4/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL3549251 1.00 MAOB (0.53) MAOBMMP1MMP2MMP9MAOA
SCHEMBL3544380 0.92 BLM (0.53) MAOBMMP1MMP2MMP9EGFR
SCHEMBL3544375 0.92 BLM (0.53) MAOBMMP1MMP2MMP9EGFR
SCHEMBL3550589 0.90 BLM (0.47) MAOBMMP1MMP2MMP9MEN1
SCHEMBL3550586 0.90 BLM (0.47) MAOBMMP1MMP2MMP9MEN1
SCHEMBL3544546 0.87 LMNA (0.56) MAOBMEN1KMT2ABLMTDP1
SCHEMBL3544981 0.87 MAPT (0.52) MMP1MMP2MMP9EGFRMEN1
SCHEMBL3544963 0.87 TRPV1 (0.48) MMP1MMP2MMP9MEN1KMT2A
SCHEMBL3544987 0.87 MAPT (0.52) MMP1MMP2MMP9EGFRMEN1
SCHEMBL3544539 0.87 LMNA (0.56) MAOBMEN1KMT2ABLMTDP1

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 MAOB 4130/4885MMP1 2962/4885MMP2 1919/4885

“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.