SCHEMBL5445609

SCHEMBL5445609

CC(C)(C)Cc1cn[nH]c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAA P10253 4/20 0.33
RPS6KA5 O75582 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HTT P42858 2/20 0.31
PKM P14618 1/20 0.31
ROCK2 O75116 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ROCK1 Q13464 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL12988591 0.71
SCHEMBL27742936 0.71
SCHEMBL14258899 0.70
SCHEMBL21325388 0.69 ALDH1A1 (0.34) ALDH1A1KDM4ETDP1HPGDMAPK1
SCHEMBL12561452 0.69 TSHR (0.39) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL10280692 0.68 ALDH1A1 (0.45) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL21423196 0.67
SCHEMBL26854391 0.67 PRKCQ (0.44) ALDH1A1ROCK2ROCK1MAPK1
SCHEMBL22822728 0.67 AOC3 (0.31) ALOX5APFEN1
SCHEMBL19203788 0.66 IDO1 (0.33)

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-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1724264-A1 NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-22 EP 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-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient CTRL, NOS1, CPN1 MEN1 1758/4885KMT2A 2888/4885ALDH1A1 2268/4885

“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.