SCHEMBL4111978

SCHEMBL4111978

CCOc1ccc(NC(=O)Nc2cccc(OCC)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.75
RAB9A P51151 8/20 0.75
SMN1; SMN2 Q16637 5/20 0.75
PAX8 Q06710 2/20 0.75
MITF O75030 1/20 0.75
MEN1 O00255 10/20 0.71
KMT2A Q03164 10/20 0.71
MAPT P10636 9/20 0.71
TP53 P04637 2/20 0.66
TSHR P16473 1/20 0.66
POLB P06746 3/20 0.64
PKM P14618 1/20 0.64
TDP1 Q9NUW8 2/20 0.63
LMNA P02545 3/20 0.61
GBA1 P04062 1/20 0.61
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CYP1A2 P05177 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
SCHEMBL4121436 0.93 TSHR (0.78) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4112735 0.92 NPC1 (0.68) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4107028 0.91 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4109903 0.91 RAB9A (0.64) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4123146 0.90 NPC1 (0.67) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4106738 0.90 NPC1 (0.64) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4112519 0.90 RAB9A (0.78) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4106008 0.89 NPC1 (0.65) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4113018 0.89 MAPT (0.64) NPC1RAB9ASMN1; SMN2PAX8MITF
SCHEMBL4106982 0.89 KMT2A (0.66) NPC1RAB9ASMN1; SMN2PAX8MITF

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.