SCHEMBL7086802

SCHEMBL7086802

NC1=C(NCc2ccc(C(F)(F)F)cc2)[CH]CC=C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
EPHX2 P34913 2/20 0.39
KCNQ2 O43526 5/20 0.39
KCNQ3 O43525 4/20 0.39
KCNQ4 P56696 2/20 0.39
KCNQ5 Q9NR82 2/20 0.39
EGFR P00533 1/20 0.38
FFAR1 O14842 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
IDO1 P14902 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 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
SCHEMBL6991135 0.71 MAOB (0.50) TAAR1IDO1
SCHEMBL11936090 0.67 FFAR1 (0.59) APPEGFRFFAR1TAAR1
SCHEMBL7345712 0.67 FFAR1 (0.68) FFAR1ALDH1A1
SCHEMBL1134141 0.65 TAAR1 (0.54) APPFFAR1TAAR1ALDH1A1IDO1
SCHEMBL1436108 0.64 PTPN1 (0.54) FFAR1TAAR1ALDH1A1IDO1
SCHEMBL6721345 0.64 KIF11 (0.57) APPTAAR1ALDH1A1IDO1
SCHEMBL29704097 0.64 TP53 (0.39) APPEPHX2FFAR1HRH4HDAC3
SCHEMBL31577309 0.64 FFAR1 (0.51) APPEPHX2EGFRFFAR1HRH4
SCHEMBL6691557 0.63 FFAR1 (0.54) EPHX2FFAR1HDAC3HDAC1HDAC2
SCHEMBL5435247 0.63 FFAR1 (0.62) APPEPHX2FFAR1ALDH1A1

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-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PHARMACIA CORPORATION 2003-12-25 US claimed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed

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-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PLG, TFPI, PLAT APP 669/4885EPHX2 1872/4885KCNQ2 4155/4885

“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.