SCHEMBL4908099

SCHEMBL4908099

Oc1ccn(Nc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
CYP3A4 P08684 3/20 0.36
IDO1 P14902 1/20 0.36
GAA P10253 4/20 0.35
KMT2A Q03164 4/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GLA P06280 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL4908108 0.75 ALDH1A1 (0.40) TSHRCYP3A4IDO1GAAKMT2A
SCHEMBL626632 0.72 ALDH1A1 (0.43) TSHRCYP3A4IDO1GAAKMT2A
SCHEMBL4908167 0.71 IDO1 (0.42) TSHRCYP3A4IDO1GAAKMT2A
SCHEMBL4912649 0.69
SCHEMBL4911388 0.68 ALOX15 (0.37) TSHRCYP3A4IDO1GAAKMT2A
SCHEMBL7694989 0.67 ALDH1A1 (0.39) TSHRCYP3A4GAAKMT2AMAOA
SCHEMBL4908806 0.67 ALDH1A1 (0.41) TSHRCYP3A4IDO1GAAKMT2A
SCHEMBL11547917 0.65 ALDH1A1 (0.59) TSHRCYP3A4GAAKMT2ACYP1A2
SCHEMBL9435418 0.64 ALDH1A1 (0.52) TSHRCYP3A4KMT2ACYP1A2LMNA
SCHEMBL499318 0.64 IDO1 (0.37) TSHRCYP3A4IDO1GAAKMT2A

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 TSHR 4834/4885CYP3A4 422/4885IDO1 1934/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 TSHR 4834/4885CYP3A4 422/4885IDO1 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.