SCHEMBL4907567

SCHEMBL4907567

Oc1cn(NCc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
THRB P10828 1/20 0.39
IDO1 P14902 1/20 0.39
MMP13 P45452 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
ASAH1 Q13510 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HPGDS O60760 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL4903557 0.79 IDO1 (0.39) THRBIDO1KMT2ALMNAASAH1
SCHEMBL263629 0.76 LTA4H (0.47) CYP2C19MMP13KMT2ALMNAHPGDS
SCHEMBL27878193 0.74 CYP2C19 (0.56) CYP2C19THRBIDO1KMT2ACYP1A2
SCHEMBL4908167 0.71 IDO1 (0.42) THRBIDO1KMT2AHPGDALDH1A1
SCHEMBL28098973 0.69 HPGDS (0.51) CYP2C19HPGDSCYP1A2CYP2D6GAA
SCHEMBL4914567 0.69 IDO1 (0.39) CYP2C19THRBIDO1KMT2ACYP1A2
SCHEMBL4903414 0.69 IDO1 (0.46) THRBIDO1KMT2AHPGDALDH1A1
SCHEMBL4906891 0.68 IDO1 (0.46) THRBIDO1KMT2AHPGDALDH1A1
SCHEMBL4914460 0.67 ASAH1 (0.43) CYP2C19THRBIDO1KMT2AASAH1
Hydrochloric Acid SCHEMBL27571472 0.67 CYP3A4 (0.49) CYP2C19CYP1A2CYP2D6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO 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 (2 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 CYP2C19 1616/4885THRB 4185/4885IDO1 1934/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 CYP2C19 1616/4885THRB 4185/4885IDO1 1934/4885

“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.