SCHEMBL4104697

SCHEMBL4104697

COc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.76
NPC1 O15118 10/20 0.76
SMN1; SMN2 Q16637 9/20 0.76
MAPT P10636 9/20 0.76
HTT P42858 2/20 0.76
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
GAA P10253 2/20 0.72
TP53 P04637 3/20 0.65
TSHR P16473 2/20 0.65
PKM P14618 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
ALDH1A1 P00352 1/20 0.63
KDM4E B2RXH2 1/20 0.59
SAE1 Q9UBE0 1/20 0.59
UBA2 Q9UBT2 1/20 0.59
POLB P06746 3/20 0.58
PDGFRA P16234 1/20 0.58

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
SCHEMBL4121882 0.88 MAPT (0.68) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL11092496 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4117340 0.83 MAPT (0.56) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL4112076 0.83 MAPT (0.70) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4921448 0.83 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL4111267 0.83 MAPT (0.76) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL4111775 0.82 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL4106913 0.81 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL4124121 0.81 MAPT (0.61) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL24232642 0.81 BLM (0.71) RAB9ANPC1MAPTHTTMEN1

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 5 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 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
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 RAB9A 815/4885NPC1 927/4885SMN1; 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.