SCHEMBL3770168

SCHEMBL3770168

CN(C)c1c(N)c(C#N)nn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
BCAT1 P54687 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 5/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL698892 0.79 BCAT1 (0.53) GAABCAT1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13602939 0.76 BCAT1 (0.50) GAABCAT1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13741146 0.73 GAA (0.54) GAABCAT1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1075654 0.73 MAPT (0.39) GAABCAT1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1076996 0.67 MAPT (0.55) GAASMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL30201876 0.66 BCAT1 (0.66) GAABCAT1SMN1; SMN2KDM4EALDH1A1
SCHEMBL544268 0.66 NPC1 (0.47) GAABCAT1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1075776 0.66 MAPT (0.40) GAABCAT1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8555328 0.65 GAA (0.69) GAASMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL27534828 0.65 GAA (0.51) GAABCAT1SMN1; SMN2KDM4EALDH1A1

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-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US claimed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 US claimed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US disclosed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 US 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-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX GAA 3712/4885BCAT1 2209/4885SMN1; SMN2 4796/4885

“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.