SCHEMBL4113295

SCHEMBL4113295

CCCOc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.71
NPC1 O15118 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
SAE1 Q9UBE0 1/20 0.64
UBA2 Q9UBT2 1/20 0.64
EPHX2 P34913 1/20 0.60
MAPT P10636 7/20 0.59
KDM4E B2RXH2 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
PKM P14618 1/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 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
SCHEMBL4115679 0.87 TSHR (0.74) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4124890 0.87 EPHX2 (0.60) RAB9ANPC1SMN1; SMN2EPHX2MAPT
SCHEMBL4104949 0.87 PPARA (0.68) RAB9ANPC1SMN1; SMN2EPHX2MAPT
SCHEMBL4112277 0.86 HRH3 (0.72) RAB9ANPC1SMN1; SMN2EPHX2MAPT
SCHEMBL4106567 0.86 FAAH (0.68) RAB9ANPC1SMN1; SMN2EPHX2MAPT
SCHEMBL4113719 0.86 EPHX2 (0.59) RAB9ANPC1SMN1; SMN2SAE1UBA2
SCHEMBL4112694 0.84 MAPT (0.62) RAB9ANPC1SMN1; SMN2EPHX2MAPT
SCHEMBL11092496 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2SAE1UBA2
SCHEMBL11662947 0.83 FAAH (0.68) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL4118174 0.83 MAPT (0.68) RAB9ASAE1UBA2EPHX2MAPT

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 RAB9A 815/4885NPC1 927/4885SMN1; SMN2 4056/4885

“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.