SCHEMBL4112657

SCHEMBL4112657

O=C(Nc1ccc(OC(F)F)cc1)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.67
ROCK1 Q13464 11/20 0.67
MAPT P10636 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
GAA P10253 1/20 0.64
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
JAK2 O60674 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RPS6KB1 P23443 2/20 0.52
RPS6KA5 O75582 1/20 0.51
PRKACA P17612 1/20 0.51
PRKX P51817 1/20 0.51

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
SCHEMBL6312939 0.82 ROCK1 (0.77) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL14738568 0.81 MAPT (0.52) ROCK2ROCK1MAPTKDM4EALDH1A1
SCHEMBL15147870 0.80 ROCK2 (1.00) ROCK2ROCK1MAPTALDH1A1NPC1
SCHEMBL4118526 0.78 MAPT (0.66) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL4113827 0.74 MAPT (0.75) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL1163706 0.74 ROCK2 (0.74) ROCK2ROCK1MAPTALDH1A1NPC1
Urea SCHEMBL4110289 0.74 MAPT (0.61) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL4124121 0.73 MAPT (0.61) MAPTKDM4EALDH1A1GAANPC1
SCHEMBL4119173 0.73 NPC1 (0.65) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL4110177 0.73 NPC1 (0.52) MAPTKDM4ENPC1RAB9AMEN1

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 7 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
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP disclosed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 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-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 ROCK2 4863/4885ROCK1 4828/4885MAPT 1654/4885

“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.