SCHEMBL3043584

SCHEMBL3043584

Cc1cnccc1C(=O)N(Cc1ccc(C(C)C)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.51
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
LTB4R2 Q9NPC1 2/20 0.45
PDK1 Q15118 10/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK2 Q15119 2/20 0.42
PDK4 Q16654 2/20 0.42
MAPK14 Q16539 1/20 0.42
PDK3 Q15120 1/20 0.42
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL3065409 0.89 GAA (0.63) GAATSHRLTB4R2PDK1KMT2A
SCHEMBL3057449 0.88 GAA (0.53) GAATSHRNOS3NOS1NOS2
SCHEMBL3059962 0.87 GAA (0.54) GAATSHRLTB4R2PDK1
SCHEMBL3053488 0.86 MAPK14 (0.54) GAATSHRNOS3NOS1NOS2
SCHEMBL3061458 0.85 MAPK14 (0.54) GAATSHRLTB4R2PDK1PDK2
SCHEMBL3062368 0.84 GAA (0.64) GAATSHRPDK1
SCHEMBL3053783 0.84 GAA (0.51) GAATSHRNOS3NOS1NOS2
SCHEMBL3048769 0.84 GAA (0.51) GAATSHRLTB4R2PDK1MEN1
SCHEMBL3060075 0.83 GAA (0.53) GAATSHRNOS3NOS1NOS2
SCHEMBL3061621 0.83 GAA (0.55) GAATSHRPDK1MEN1KMT2A

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 2 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

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 GAA 1212/4885TSHR 384/4885NOS3 3019/4885

“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.