SCHEMBL4953192

SCHEMBL4953192

Nc1ccc(NCCO)c2cnn(N)c12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
GLA P06280 2/20 0.30
GAA P10253 2/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
TTR P02766 1/20 0.30
RAD52 P43351 1/20 0.30
RAB9A P51151 1/20 0.30
HPGD P15428 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
SCHEMBL4951424 0.85 PKM (0.32) PKMKMT2APOLBSMN1; SMN2CYP2C19
SCHEMBL4949643 0.82 IDO1 (0.37) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL4953958 0.82 CYP2C19 (0.32) PKMKMT2APOLBSMN1; SMN2CYP2C19
SCHEMBL4951842 0.81 KDM4E (0.34) PKMKMT2APOLBSMN1; SMN2CYP2C19
SCHEMBL4955301 0.76 PKM (0.33) PKMKMT2ACYP2C19MAPTKDM4E
SCHEMBL4953515 0.73 MEN1 (0.32) KMT2ACYP2C19KDM4EALDH1A1
SCHEMBL4953889 0.73 PKM (0.33) PKMKMT2ACYP2C19MAPTKDM4E
SCHEMBL4951437 0.71 CDK1 (0.38) KMT2ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL4950980 0.71 LMNA (0.34) SMN1; SMN2TP53LMNARAB9A
SCHEMBL4955131 0.71 PKM (0.32) PKMKMT2A

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
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C PKM 1106/4885KMT2A 692/4885POLB 744/4885

“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.