SCHEMBL4112698

SCHEMBL4112698

CC(=O)c1cccc(NC(=O)Nc2ccc(C(C)C)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.71
MEN1 O00255 5/20 0.71
RAB9A P51151 8/20 0.70
NPC1 O15118 7/20 0.70
MAPT P10636 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 6/20 0.62
TP53 P04637 3/20 0.62
TSHR P16473 2/20 0.62
USP2 O75604 1/20 0.62
PKM P14618 1/20 0.62
MAPK1 P28482 1/20 0.62
MCL1 Q07820 1/20 0.62
NOX1 Q9Y5S8 1/20 0.62
HTT P42858 3/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA9 Q16790 1/20 0.58
HPGD P15428 1/20 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
SCHEMBL132418 0.90 HPSE (0.67) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4112062 0.85 MEN1 (0.69) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL5340030 0.85 MEN1 (0.89) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL28810823 0.84 KMT2A (0.76) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4918597 0.84 KMT2A (1.00) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL10192068 0.83 SAE1 (0.66) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4112635 0.83 RAB9A (0.72) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4117858 0.82 RAB9A (0.67) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL16900702 0.82 CA2 (0.56) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL19707622 0.82 RAB9A (0.76) KMT2AMEN1RAB9ANPC1MAPT

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 6 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 claimed
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP claimed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO claimed
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 KMT2A 2807/4885MEN1 3273/4885RAB9A 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.