SCHEMBL4122358

SCHEMBL4122358

Cc1cccc(NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 2/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
KMT2A Q03164 5/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.54
GPR17 Q13304 1/20 0.54
CSF1R P07333 1/20 0.53
FLT1 P17948 1/20 0.53
FLT3 P36888 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL4112065 0.86 KMT2A (0.64) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL4117961 0.86 MAPT (0.71) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL4112916 0.85 RAB9A (0.76) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL4112196 0.84 TP53 (0.68) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL4113529 0.84 RAB9A (0.72) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL4110239 0.82 TRPV1 (0.76) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL4110308 0.81 MAPT (0.68) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL4112132 0.81 KMT2A (0.62) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL13695898 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL4122707 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HTTLMNA

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 815/4885SMN1; 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.