SCHEMBL4121436

SCHEMBL4121436

CCOc1cccc(NC(=O)Nc2ccc(OC)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.78
TP53 P04637 1/20 0.78
MAPT P10636 9/20 0.69
SMN1; SMN2 Q16637 8/20 0.69
NPC1 O15118 8/20 0.69
RAB9A P51151 7/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
MITF O75030 2/20 0.66
PAX8 Q06710 1/20 0.66
LMNA P02545 3/20 0.61
MAPK1 P28482 3/20 0.61
HTT P42858 2/20 0.61
STAT1 P42224 1/20 0.61
RAF1 P04049 1/20 0.61
ALDH1A1 P00352 3/20 0.60
ALOX15 P16050 1/20 0.60
HPGD P15428 1/20 0.59
GAA P10253 1/20 0.58
KDM4E B2RXH2 2/20 0.58

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
SCHEMBL4111978 0.93 NPC1 (0.75) TSHRTP53MAPTSMN1; SMN2NPC1
SCHEMBL4112735 0.88 NPC1 (0.68) TSHRTP53MAPTSMN1; SMN2NPC1
SCHEMBL4107028 0.87 SMN1; SMN2 (0.64) TSHRTP53MAPTSMN1; SMN2NPC1
SCHEMBL4109903 0.87 RAB9A (0.64) TSHRTP53MAPTSMN1; SMN2NPC1
SCHEMBL4106147 0.86 KMT2A (0.64) TSHRTP53MAPTSMN1; SMN2NPC1
SCHEMBL4106738 0.86 NPC1 (0.64) TSHRTP53MAPTSMN1; SMN2NPC1
SCHEMBL4112519 0.86 RAB9A (0.78) TSHRTP53MAPTSMN1; SMN2NPC1
SCHEMBL4106982 0.85 KMT2A (0.66) TSHRTP53MAPTSMN1; SMN2NPC1
SCHEMBL27954472 0.84 MEN1 (0.67) TSHRTP53MAPTSMN1; SMN2NPC1
SCHEMBL4113495 0.84 EPHX2 (0.62) TSHRTP53MAPTSMN1; SMN2NPC1

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 TSHR 536/4885TP53 4802/4885MAPT 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.