SCHEMBL4121882

SCHEMBL4121882

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.68
HTT P42858 3/20 0.68
NPC1 O15118 10/20 0.68
RAB9A P51151 10/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
TP53 P04637 2/20 0.61
TSHR P16473 2/20 0.61
PKM P14618 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
KCNJ6 P48051 1/20 0.60
KCNJ5 P48544 1/20 0.60
KCNJ3 P48549 1/20 0.60
POLB P06746 3/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL4104697 0.88 RAB9A (0.76) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4124124 0.87 RAB9A (0.71) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4118553 0.87 NPC1 (0.69) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4118094 0.86 MAPT (0.75) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL23657657 0.85 NPC1 (0.67) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4126914 0.84 GLA (0.54) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4118206 0.84 MAPT (0.67) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4124268 0.84 MAPT (0.57) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4106154 0.84 EPHX2 (0.69) MAPTHTTNPC1RAB9ATP53
SCHEMBL4112362 0.84 NPC1 (0.67) MAPTHTTNPC1RAB9ASMN1; SMN2

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 MAPT 1654/4885HTT 1736/4885NPC1 927/4885

“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.