SCHEMBL4908152

SCHEMBL4908152

CCOn1ncc(O)c1N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 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
SCHEMBL4903436 0.80 RAB9A (0.31) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4911885 0.79
SCHEMBL28199708 0.79 ALDH1A1 (0.43) RAB9ANPC1KDM4EALDH1A1HPGD
Hydrogen Sulfide SCHEMBL28092286 0.78 KDM4E (0.30) RAB9ANPC1KDM4ELMNA
SCHEMBL4910479 0.78
SCHEMBL28227599 0.73 RAB9A (0.31) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL28094726 0.73 KDM4E (0.43) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4954002 0.72 EP300 (0.36) RAB9AALDH1A1HPGD
SCHEMBL4954005 0.72 CHEK1 (0.31)
SCHEMBL4953915 0.72 CHEK1 (0.31)

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 RAB9A 3674/4885NPC1 4609/4885KDM4E 329/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 RAB9A 3674/4885NPC1 4609/4885KDM4E 329/4885

“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.