SCHEMBL3043363

SCHEMBL3043363

COc1cccc(OC)c1CN(C(=O)c1ccncc1C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
PDK1 Q15118 3/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSPO P30536 3/20 0.41
OPRK1 P41145 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3059919 0.89 TSPO (0.53) TSHRGAAPDK1NOS3NOS1
SCHEMBL3056502 0.87 TSHR (0.49) TSHRGAAPDK1NOS3NOS1
SCHEMBL3048615 0.84 NOS3 (0.48) TSHRGAAPDK1NOS3NOS1
SCHEMBL3065409 0.83 GAA (0.63) TSHRGAAPDK1KMT2AHTT
SCHEMBL3043570 0.83 KDM4E (0.49) TSHRGAAPDK1NOS3NOS1
SCHEMBL3043454 0.81 ALDH1A1 (0.47) MAPTTSHRGAAPDK1KMT2A
SCHEMBL3053488 0.80 MAPK14 (0.54) MAPTTSHRGAAPDK1NOS3
SCHEMBL3064672 0.80 RAB9A (0.55) TSHRGAAPDK1NOS3NOS1
SCHEMBL3059962 0.79 GAA (0.54) TSHRGAAPDK1
SCHEMBL3062368 0.79 GAA (0.64) TSHRGAAPDK1

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 4 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
CN-101405268-A Amide derivatives and their use for the treatment of protein-related diseases NOVARTIS AG (CH) 2009-04-08 CN 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 MAPT 2871/4885TSHR 384/4885GAA 1212/4885

“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.