SCHEMBL4112196

SCHEMBL4112196

COc1cccc(NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.68
TSHR P16473 1/20 0.68
NPC1 O15118 10/20 0.64
RAB9A P51151 10/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
MAPT P10636 7/20 0.64
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
MAPK1 P28482 2/20 0.61
STAT1 P42224 1/20 0.61
ALDH1A1 P00352 5/20 0.60
MITF O75030 1/20 0.60
PKM P14618 2/20 0.59
HPGD P15428 1/20 0.59
RAF1 P04049 1/20 0.57
GAA P10253 2/20 0.57
USP2 O75604 1/20 0.57
RXFP1 Q9HBX9 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
SCHEMBL4113137 0.86 MAPT (0.74) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4122358 0.84 NPC1 (0.58) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4112065 0.84 KMT2A (0.64) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4112916 0.83 RAB9A (0.76) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL4105994 0.83 TSHR (0.78) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4112984 0.82 TP53 (0.78) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4123557 0.82 TP53 (0.72) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4122551 0.82 MAPT (0.72) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4110308 0.82 MAPT (0.68) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL31040569 0.82 TP53 (0.87) TP53TSHRNPC1RAB9ASMN1; 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 TP53 4802/4885TSHR 536/4885NPC1 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.