SCHEMBL4908167

SCHEMBL4908167

Oc1ccn(NCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
THRB P10828 1/20 0.42
ALOX12 P18054 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
DRD4 P21917 1/20 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
SCHEMBL4954784 0.82 PPID (0.36) THRBALDH1A1TDP1TSHRCYP3A4
SCHEMBL4913432 0.78 IDO1 (0.42) IDO1THRBALOX12HPGDALDH1A1
SCHEMBL4903414 0.76 IDO1 (0.46) IDO1THRBALOX12HPGDALDH1A1
SCHEMBL28202180 0.74 TSHR (0.40) IDO1THRBHPGDALDH1A1KMT2A
SCHEMBL4914567 0.71 IDO1 (0.39) IDO1THRBALOX12HPGDALDH1A1
SCHEMBL4907567 0.71 CYP2C19 (0.40) IDO1THRBALOX12HPGDALDH1A1
SCHEMBL4906891 0.71 IDO1 (0.46) IDO1THRBALOX12HPGDALDH1A1
SCHEMBL4908099 0.71 TSHR (0.36) IDO1ALOX12HPGDALDH1A1KMT2A
SCHEMBL27878193 0.68 CYP2C19 (0.56) IDO1THRBALDH1A1KMT2AMEN1
SCHEMBL10444030 0.67 CYP2C19 (0.51) ALDH1A1KMT2AMEN1MAPTPOLB

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 IDO1 1934/4885THRB 4185/4885ALOX12 1392/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 IDO1 1934/4885THRB 4185/4885ALOX12 1392/4885

“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.