SCHEMBL4849026

SCHEMBL4849026

Cc1cc(N)ccc1NCCCn1cccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
TLR7 Q9NYK1 1/20 0.49
NLRP3 Q96P20 2/20 0.42
MEN1 O00255 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KMT2A Q03164 1/20 0.39
NQO2 P16083 4/20 0.38
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
CSNK2A2 P19784 1/20 0.37
FGFR2 P21802 1/20 0.37
KDR P35968 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL4846994 0.78 TLR8 (0.46) TLR8TLR7NLRP3KMT2AMITF
SCHEMBL4845810 0.77 TLR8 (0.46) TLR8TLR7NLRP3MEN1OPRM1
SCHEMBL6369704 0.77 NQO2 (0.47) NQO2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL15996379 0.76 TLR8 (0.46) TLR8TLR7NQO2POLBCYP1A2
SCHEMBL23609764 0.76 CSNK2A2 (0.43) TLR8TLR7MEN1OPRM1OPRD1
Hydrochloric Acid SCHEMBL4955142 0.75 NQO2 (0.46) NQO2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL6369919 0.75 NQO2 (0.54) NQO2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL6377800 0.75 NQO2 (0.54) NQO2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL18940329 0.74 TLR8 (0.41) TLR8TLR7NLRP3MEN1OPRM1
Hydrochloric Acid SCHEMBL4954718 0.74 NQO2 (0.53) NQO2CYP1A2MAPTCYP2C9CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US claimed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US claimed
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'OREAL S.A. (FR) 2006-01-12 US claimed
EP-1589012-A2 N-alkylheteroaryl secondary para-phenyldiamine, dyeing composition containing the same, process for making it and uses thereof L'OREAL (FR) 2005-10-26 EP claimed
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US disclosed
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US disclosed
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US disclosed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US disclosed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US disclosed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 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-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE KRT18, CDC73, PRKDC TLR8 3102/4885TLR7 2330/4885NLRP3 3924/4885
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine KRT18, CDC73, PRKDC TLR8 3102/4885TLR7 2330/4885NLRP3 3924/4885

“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.