SCHEMBL4112906

SCHEMBL4112906

CCOc1ccc(NC(=O)Nc2ccc(CC#N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
RAB9A P51151 8/20 0.57
NPC1 O15118 7/20 0.57
THRB P10828 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
LMNA P02545 4/20 0.56
POLB P06746 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
PAX8 Q06710 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MITF O75030 1/20 0.53

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
SCHEMBL4106923 0.85 SAE1 (0.69) MAPTRAB9ANPC1THRBMEN1
SCHEMBL4113552 0.85 MAPT (0.68) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL18615982 0.85 KMT2A (0.64) MAPTRAB9ANPC1THRBMEN1
SCHEMBL10576308 0.84 MAPT (0.86) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4113073 0.84 MAPT (0.71) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4122896 0.83 RAB9A (0.61) MAPTRAB9ANPC1THRBMEN1
SCHEMBL4105709 0.83 MAPT (0.73) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1235239 0.83 NQO1 (0.58) LMNATDP1SMN1; SMN2PKMGAA
SCHEMBL4117832 0.81 MAPT (0.69) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4118009 0.81 KMT2A (0.64) MAPTRAB9ANPC1THRBMEN1

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 MAPT 1654/4885RAB9A 815/4885NPC1 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.