SCHEMBL4123557

SCHEMBL4123557

COc1cccc(NC(=O)Nc2cccc(OC(C)C)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.72
TSHR P16473 2/20 0.72
RAB9A P51151 10/20 0.67
NPC1 O15118 8/20 0.67
ALDH1A1 P00352 5/20 0.67
MITF O75030 1/20 0.67
CA2 P00918 1/20 0.65
THRB P10828 1/20 0.64
MAPT P10636 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
HTT P42858 3/20 0.63
LMNA P02545 1/20 0.63
MAPK1 P28482 1/20 0.63
STAT1 P42224 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
USP2 O75604 1/20 0.62
GAA P10253 1/20 0.62
ALOX15 P16050 1/20 0.62

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
SCHEMBL4105994 0.94 TSHR (0.78) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL4105995 0.93 TP53 (0.81) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL4893387 0.90 TP53 (0.87) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL31040569 0.90 TP53 (0.87) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL4104406 0.89 CA2 (0.71) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL17084260 0.89 TP53 (0.84) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL4118285 0.86 CA2 (0.64) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL4112724 0.86 TP53 (0.70) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL12410421 0.86 CA2 (0.63) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL14442613 0.85 TP53 (0.84) TP53TSHRRAB9ANPC1ALDH1A1

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 TP53 4802/4885TSHR 536/4885RAB9A 815/4885

“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.