SCHEMBL4914514

SCHEMBL4914514

Nc1c(-c2ccccc2)nn(O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
MAPT P10636 4/20 0.42
CDK8 P49336 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
PRKCQ Q04759 1/20 0.41
LRRK2 Q5S007 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL4917367 0.82 MAPT (0.41) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL4913392 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL33804 0.76 MAPT (0.55) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL1800736 0.74 NPC1 (0.54) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
Hydrochloric Acid SCHEMBL6259439 0.74 MAPT (0.53) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL1801451 0.73 ESR1 (0.43) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL29041058 0.72 MEN1 (0.50) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL6004377 0.72 KDM4E (0.43) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
Hydrochloric Acid SCHEMBL6755862 0.71 KDM4E (0.42) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL22778897 0.68 SRC (0.68) ALDH1A1HPGDKDM4ELMNACSNK1A1

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 ALDH1A1 420/4885SMN1; SMN2 4726/4885HPGD 14/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 ALDH1A1 420/4885SMN1; SMN2 4726/4885HPGD 14/4885

“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.