SCHEMBL3043570

SCHEMBL3043570

COc1cc2ccccc2cc1CN(C(=O)c1ccncc1C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
USP2 O75604 1/20 0.44
PDK1 Q15118 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
TSPO P30536 3/20 0.43
OPRK1 P41145 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3054463 0.90 GPBAR1 (0.50) KDM4EALDH1A1HPGDNOS3NOS1
SCHEMBL3059919 0.87 TSPO (0.53) KDM4EALDH1A1HPGDNOS3NOS1
SCHEMBL3043363 0.83 MAPT (0.49) KDM4EALDH1A1HPGDNOS3NOS1
SCHEMBL3061458 0.81 MAPK14 (0.54) PDK1TSHRGAA
SCHEMBL3065409 0.79 GAA (0.63) PDK1KMT2ATSHRGAA
SCHEMBL3064672 0.79 RAB9A (0.55) KDM4EALDH1A1HPGDNOS3NOS1
SCHEMBL3055219 0.78 NOS3 (0.50) KDM4EALDH1A1NOS3NOS1NOS2
SCHEMBL3065345 0.78 NOS3 (0.51) ALDH1A1NOS3NOS1NOS2PDK1
SCHEMBL4764550 0.77 LTB4R2 (0.47) ALDH1A1NOS3NOS1NOS2PDK1
SCHEMBL3064954 0.77 MAPK14 (0.49) PDK1TSHRGAA

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 KDM4E 792/4885ALDH1A1 347/4885HPGD 825/4885

“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.