SCHEMBL4110329

SCHEMBL4110329

N#CCc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 3/20 0.67
HTT P42858 2/20 0.67
KMT2A Q03164 7/20 0.52
RAB9A P51151 6/20 0.52
THRB P10828 1/20 0.52
NAMPT P43490 1/20 0.50
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
BLM P54132 1/20 0.45
SLC2A1 P11166 1/20 0.44
GAA P10253 1/20 0.44
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL4111413 0.87 NPC1 (0.59) NPC1LMNAMAPTHTTKMT2A
SCHEMBL4112124 0.84 NPC1 (0.61) NPC1LMNAMAPTHTTKMT2A
SCHEMBL4104736 0.83 NPC1 (0.71) NPC1LMNAMAPTHTTKMT2A
SCHEMBL4117959 0.81 NPC1 (0.74) NPC1LMNAMAPTHTTKMT2A
SCHEMBL4110382 0.80 RAB9A (0.59) NPC1LMNAMAPTHTTKMT2A
SCHEMBL4115731 0.80 MAPT (1.00) NPC1LMNAMAPTHTTKMT2A
SCHEMBL4117216 0.79 NPC1 (0.63) NPC1LMNAMAPTHTTKMT2A
SCHEMBL18615367 0.79 CDK8 (0.61) NPC1LMNAMAPTHTTKMT2A
SCHEMBL4113342 0.79 MAPT (0.50) NPC1LMNAMAPTHTTKMT2A
SCHEMBL18615379 0.78 MAPT (0.57) NPC1LMNAMAPTHTTKMT2A

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-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 927/4885LMNA 4283/4885MAPT 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.