SCHEMBL4917367

SCHEMBL4917367

Nc1c(O)c(-c2ccccc2)nn1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 5/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 2/20 0.38
ADORA2A P29274 5/20 0.37
ADORA1 P30542 4/20 0.37
CSNK1A1 P48729 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CSF1R P07333 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
CDK8 P49336 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 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
SCHEMBL4914514 0.82 ALDH1A1 (0.44) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4910961 0.81 ALDH1A1 (0.39) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL22778897 0.67 SRC (0.68) HPGDALDH1A1KDM4ELMNACSNK1A1
SCHEMBL11674731 0.67 MEN1 (0.50) MAPTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL23402462 0.65 RECQL (0.46) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14495715 0.64 PTGER1 (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20156064 0.64 GABRA1 (0.47) MAPTHPGDALDH1A1KDM4EMEN1
SCHEMBL4913392 0.64 ALDH1A1 (0.45) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL11862067 0.63 CA1 (0.56) MAPTSMN1; SMN2KDM4ELMNAADORA1
SCHEMBL14495716 0.63 MEN1 (0.64) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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 MAPT 1579/4885SMN1; SMN2 4726/4885NPC1 4609/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 MAPT 1579/4885SMN1; SMN2 4726/4885NPC1 4609/4885

“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.