SCHEMBL1075833

SCHEMBL1075833

Cn1nc(C#N)c([N+](=O)[O-])c1N

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 7/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
MITF O75030 1/20 0.32
ALPL P05186 1/20 0.32
APEX1 P27695 1/20 0.32
APOBEC3A P31941 1/20 0.32
HTT P42858 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ELANE P08246 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 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
SCHEMBL4501948 0.76 PKM (1.00) PKMSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL699047 0.72 GAA (0.32) PKMSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL7113070 0.71 PKM (0.61) PKMSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28693875 0.71 PKM (0.61) PKMSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11698200 0.71 KMT2A (0.41) SMN1; SMN2MAPTALDH1A1KDM4ETDP1
SCHEMBL13061341 0.71 HPGD (0.47) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL28675385 0.68 PKM (0.56) PKMSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL10871178 0.68 PKM (0.56) PKMMAPTALDH1A1KDM4ETDP1
SCHEMBL5277463 0.66 PKM (0.33) PKMMAPT
SCHEMBL1559353 0.66 MAPT (0.42) MAPTALDH1A1KDM4ETDP1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274286-B1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF PROCTER & GAMBLE (US) 2015-08-05 EP disclosed
CN-103524420-A Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof PROCTER & GAMBLE 2014-01-22 CN disclosed
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP disclosed
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
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO 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 PKM 99/4885SMN1; SMN2 4796/4885MAPT 354/4885

“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.