SCHEMBL4910993

SCHEMBL4910993

Oc1ccnn1Nc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
CYP1A2 P05177 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
TSHR P16473 4/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CTSD P07339 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.32
SLC6A2 P23975 2/20 0.32
CYP3A4 P08684 2/20 0.31
TP53 P04637 2/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
CDK9 P50750 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TAS2R38 P59533 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4913522 0.72 IDO1 (0.41) IDO1CYP1A2TSHRALDH1A1TDP1
SCHEMBL4913814 0.68 ATR (0.37) IDO1CYP1A2ALDH1A1TDP1HTT
SCHEMBL6445730 0.67 CYP1A2 (0.40) IDO1CYP1A2TAAR1TSHRALDH1A1
SCHEMBL4956712 0.65 KDM4E (0.41) IDO1CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL4954113 0.65 ADRA2A (0.39) IDO1CYP1A2HSD17B10HTTSLC6A2
SCHEMBL825684 0.64 CYP1A2 (0.38) IDO1CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL5579308 0.64 POLB (0.57) TSHRHSD17B10TDP1GAACYP3A4
SCHEMBL2946608 0.63 ADRA2A (0.55) CYP1A2ALDH1A1HSD17B10SLC6A2TP53
SCHEMBL4914788 0.63 CYP1A2 (0.38) IDO1CYP1A2TAAR1TSHRALDH1A1
SCHEMBL8491002 0.63 CYP4Z1 (0.50) CYP1A2TSHRALDH1A1HSD17B10CYP3A4

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 8 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
US-4105656-A PROCESS FOR PREPARING 3-N-MONOSUBSTITUTED AMINO-4-SUBSTITUTED-5-PYRAZOLONES FUJI PHOTO FILM CO., LTD. (JP) 1978-08-08 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 (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 1934/4885CYP1A2 752/4885TAAR1 3758/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 IDO1 1934/4885CYP1A2 752/4885TAAR1 3758/4885

“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.