SCHEMBL4903436

SCHEMBL4903436

CCOn1ncc(N)c1N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30

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
Hydrogen Sulfide SCHEMBL28092286 0.98 KDM4E (0.30) RAB9AKDM4ENPC1LMNA
SCHEMBL4908152 0.80 RAB9A (0.33) RAB9AKDM4ENPC1LMNAALDH1A1
SCHEMBL4916102 0.76
SCHEMBL28094726 0.76 KDM4E (0.43) KDM4ELMNAALDH1A1HPGD
SCHEMBL28227599 0.76 RAB9A (0.31) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL4906114 0.76
SCHEMBL28199708 0.74 ALDH1A1 (0.43) RAB9AKDM4ENPC1LMNAALDH1A1
Hydrochloric Acid SCHEMBL28227572 0.74 KDM4E (0.30) RAB9AKDM4ENPC1
SCHEMBL4910492 0.72 DHFR (0.40) RAB9AALDH1A1
SCHEMBL4908111 0.71

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105853246-B Keratin dyeing compositions and application thereof comprising free radical scavenger and chelating agent 诺赛尔股份有限公司 2019-07-26 CN claimed
CN-105853246-A Keratin dyeing compositions comprising radical scavenger and chelant and use thereof 宝洁公司 2016-08-17 CN claimed
CN-102405080-A Keratin dyeing compositions comprising radical scavengers and chelating agents and uses thereof PROCTER & GAMBLE 2012-04-04 CN claimed
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
CN-109890360-A Methods, compositions and uses related thereto 因诺斯佩克有限公司 2019-06-14 CN disclosed
CN-109789072-A Methods, compositions and uses related thereto 因诺斯佩克有限公司 2019-05-21 CN disclosed
CN-109789064-A Methods, compositions and uses related thereto 因诺斯佩克有限公司 2019-05-21 CN disclosed
CN-109789319-A Reduction of color loss from dyed materials by using amine salts of carboxylic acids 因诺斯佩克有限公司 2019-05-21 CN disclosed
CN-109789065-A Cosmetic composition for combating the loss of colour of dyed material 因诺斯佩克有限公司 2019-05-21 CN disclosed
CN-109069372-A Methods, compositions and uses related thereto 因诺斯佩克有限公司 2018-12-21 CN disclosed
CN-109069371-A Methods, compositions and uses related thereto 因诺斯佩克有限公司 2018-12-21 CN 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
CN-1205910-C Yellow hair coloring compositions with improved long wear characteristics P & P CLAROL INC (US) 2005-06-15 CN disclosed
CN-1196464-C Novel couplers for oxidative hair dyeing P & G CLAROR INC (US) 2005-04-13 CN disclosed
CN-1190182-C Intermediates for use in oxidative hair coloring P & G KLEROL INC (US) 2005-02-23 CN disclosed
CN-1462183-A Yellow hair coloring compositions with improved long wear characteristics P & G CLAROL INC (US) 2003-12-17 CN disclosed
CN-1404384-A Novel primary intermediates for use in oxidative hair dyeing P & G KLEROL INC (US) 2003-03-19 CN disclosed
CN-1396819-A Novel couplers for oxidative hair dyeing P & G CLAROR INC (US) 2003-02-12 CN disclosed
CN-1372458-A Oxidation dyeing composition for keratinous fibres and dyeing method using said composition OREAL (FR) 2002-10-02 CN 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 (1 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 3674/4885KDM4E 329/4885NPC1 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.