SCHEMBL4113073

SCHEMBL4113073

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.71
RAB9A P51151 7/20 0.71
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
LMNA P02545 4/20 0.71
POLB P06746 4/20 0.71
MAPK1 P28482 2/20 0.71
PKM P14618 2/20 0.71
KDM4E B2RXH2 2/20 0.71
IL18 Q14116 1/20 0.71
SAE1 Q9UBE0 1/20 0.62
UBA2 Q9UBT2 1/20 0.62
TDP1 Q9NUW8 2/20 0.61
CYP1A2 P05177 1/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
ALDH1A1 P00352 3/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL10576308 0.88 MAPT (0.86) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL4118174 0.88 MAPT (0.68) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL4113018 0.88 MAPT (0.64) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL4113552 0.86 MAPT (0.68) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL4117473 0.86 MAPT (0.70) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL4113028 0.84 MAPT (0.71) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL4112906 0.84 MAPT (0.64) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL11054945 0.83 MAPT (0.81) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL4104467 0.82 MAPT (0.76) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL11677967 0.82 GAA (0.56) MAPTRAB9AMEN1KMT2ALMNA

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 MAPT 1654/4885RAB9A 815/4885MEN1 3273/4885

“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.