SCHEMBL4119173

SCHEMBL4119173

O=C(Nc1ccc(OC(F)F)cc1)Nc1cnc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
MAPT P10636 4/20 0.65
POLB P06746 4/20 0.65
KDR P35968 2/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 4/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL4112992 0.86 CNR1 (0.70) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL4112788 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL27866684 0.83 NPC1 (0.80) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL22803564 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL4111928 0.78 MAPT (0.68) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4118526 0.78 MAPT (0.66) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL4113827 0.77 MAPT (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4105514 0.77 MAPT (0.57) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL4112611 0.76 RAB9A (0.74) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL4110177 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTPOLB

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-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US claimed
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP claimed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO claimed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 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-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 NPC1 927/4885RAB9A 815/4885SMN1; SMN2 4056/4885

“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.