SCHEMBL4111143

SCHEMBL4111143

O=C(Nc1cccc(F)c1)Nc1ccc2c(c1)CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 19/20 1.00
RAB9A P51151 19/20 1.00
CASP3 P42574 2/20 1.00
SENP7 Q9BQF6 2/20 1.00
KMT2A Q03164 5/20 0.73
MEN1 O00255 4/20 0.73
NFKB1 P19838 2/20 0.71
NFKB2 Q00653 2/20 0.71
RELA Q04206 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HTT P42858 1/20 0.71
POLB P06746 4/20 0.64
TP53 P04637 1/20 0.59

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
SCHEMBL4110447 0.86 NPC1 (1.00) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL31054230 0.84 NPC1 (1.00) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL4115937 0.84 NPC1 (1.00) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL14014122 0.82 NPC1 (1.00) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL30851500 0.82 RAB9A (0.79) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL27193042 0.82 RAB9A (0.79) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL4118296 0.82 NPC1 (0.75) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL4548183 0.82 RAB9A (0.69) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL6702838 0.82 NPC1 (0.67) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL8126912 0.81 RAB9A (0.68) NPC1RAB9ACASP3SENP7KMT2A

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 927/4885RAB9A 815/4885CASP3 4556/4885

“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.