SCHEMBL3058702

SCHEMBL3058702

COc1ccccc1CN(C(=O)c1ccncc1C)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 5/20 0.51
OPRK1 P41145 2/20 0.51
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
BCL2A1 Q16548 1/20 0.40
NPC1 O15118 1/20 0.40
ALB P02768 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39

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
SCHEMBL3052398 0.91 MEN1 (0.48) TSPOOPRK1KDM4EALDH1A1MEN1
SCHEMBL3049921 0.90 TSPO (0.46) TSPOOPRK1KDM4EALDH1A1MEN1
SCHEMBL3054615 0.89 NOS3 (0.45) KDM4EALDH1A1NOS3NOS1NOS2
SCHEMBL3064588 0.88 NOS3 (0.44) KDM4EALDH1A1KMT2ANOS3NOS1
SCHEMBL3053511 0.87 TSPO (0.51) TSPOOPRK1KDM4EALDH1A1MEN1
SCHEMBL3052859 0.86 NOS3 (0.47) TSPOOPRK1KDM4EMEN1KMT2A
SCHEMBL3059919 0.86 TSPO (0.53) TSPOOPRK1KDM4EALDH1A1MEN1
SCHEMBL3055219 0.85 NOS3 (0.50) TSPOOPRK1KDM4EALDH1A1MEN1
SCHEMBL3054296 0.85 TSPO (0.48) TSPOOPRK1KDM4EALDH1A1MEN1
SCHEMBL3064290 0.85 TSPO (0.48) TSPOOPRK1KDM4EALDH1A1MAPK1

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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 WO 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 TSPO 2487/4885OPRK1 156/4885KDM4E 792/4885

“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.