SCHEMBL6991135

SCHEMBL6991135

NC1=C(OCc2ccc(C(F)(F)F)cc2)[CH]CC=C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.50
IDO1 P14902 2/20 0.46
KMT2A Q03164 1/20 0.41
MPO P05164 1/20 0.39
PTPN1 P18031 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MAOA P21397 3/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 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
SCHEMBL7486133 0.83 MAOB (0.43) MAOBIDO1KMT2APTPN1MAOA
SCHEMBL16399837 0.72 MAOB (0.46) MAOBIDO1KMT2APTPN1MAOA
SCHEMBL7086802 0.71 APP (0.44) IDO1TAAR1
SCHEMBL4339843 0.67 MAOB (1.00) MAOBIDO1PTPN1MAOA
SCHEMBL13279971 0.66 MAOB (0.73) MAOBIDO1PTPN1MAOA
SCHEMBL6991894 0.66 NPC1 (0.46) MAOBIDO1MPOMAOA
SCHEMBL17520335 0.65 IDO1 (0.63) MAOBIDO1KMT2ATAAR1
SCHEMBL5024279 0.65 IDO1 (0.63) MAOBIDO1KMT2ATAAR1MAOA
SCHEMBL1520538 0.65 IDO1 (1.00) MAOBIDO1KMT2ATAAR1
SCHEMBL492736 0.64 IDO1 (0.68) MAOBIDO1KMT2APTPN1TAAR1

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-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PHARMACIA CORPORATION 2003-12-25 US claimed
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP claimed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO 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 MAOB 109/4885IDO1 1099/4885KMT2A 4696/4885

“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.