SCHEMBL3548766

SCHEMBL3548766

CNC(=O)c1nccc(Cl)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
GPR55 Q9Y2T6 2/20 0.38
JAK2 O60674 1/20 0.38
TLR9 Q9NR96 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
SORT1 Q99523 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TYK2 P29597 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
SCD O00767 1/20 0.36

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
SCHEMBL18132289 0.82 PDE4A (0.40) MAPTSMN1; SMN2ALDH1A1HTTGPR55
SCHEMBL31636805 0.82 L3MBTL1 (0.46) MAPTSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL15636734 0.81 PTGS2 (0.37) ALDH1A1JAK2SORT1KDM4ETYK2
SCHEMBL16240426 0.81 CNR1 (0.43)
SCHEMBL31637017 0.79 KMO (0.47) MAPTSMN1; SMN2ALDH1A1SORT1KMT2A
SCHEMBL231248 0.79 KMO (0.47) MAPTSMN1; SMN2ALDH1A1SORT1KMT2A
SCHEMBL10709764 0.79 RAB9A (0.44) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL4828173 0.79 PTPN11 (0.48) SMN1; SMN2ALDH1A1KDM4EYTHDC1
SCHEMBL14771234 0.78 NPSR1 (0.42) MAPTKMT2AKDM4EL3MBTL1NPSR1
Lithium Ion SCHEMBL694807 0.78 DHODH (0.34) MAPTNPC1RAB9ASORT1KMT2A

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 6 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
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO 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 MAPT 3192/4885SMN1; SMN2 4250/4885ALDH1A1 2863/4885

“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.