Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4845813

Cc1cc(CCCn2cccn2)ccc1N.N

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.55
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
HTT P42858 2/20 0.36
GRIN2B Q13224 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL5905949 0.81 NOS3 (0.50) SKP2ALDH1A1NOS3NOS1HTT
SCHEMBL4845810 0.76 TLR8 (0.46) TLR8TLR7ALDH1A1GRIN2BKDM4E
Ammonia Solution, Strong SCHEMBL4849031 0.76 TLR8 (0.46) TLR8TLR7ALDH1A1L3MBTL1HTT
SCHEMBL26316767 0.74 HRH1 (0.47) TLR8TLR7ALDH1A1L3MBTL1HTT
SCHEMBL3514830 0.74 SKP2 (0.81) SKP2ALDH1A1KDM4EGAAMAPT
SCHEMBL18940351 0.73 TLR8 (0.40) TLR8TLR7ALDH1A1HTTPOLB
SCHEMBL18461825 0.73 KMT2A (0.50) ALDH1A1L3MBTL1HTTKMT2ANPC1
SCHEMBL4638583 0.72 SKP2 (1.00) SKP2ALDH1A1HTTNPSR1CA1
Hydrochloric Acid SCHEMBL22283551 0.72 TLR8 (0.39) TLR8TLR7ALDH1A1HTTPOLB
SCHEMBL10785390 0.72 ESR1 (0.44) ALDH1A1L3MBTL1NOS3NOS1HTT

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 6 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-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 SKP2 2385/4885TLR8 3102/4885TLR7 2330/4885
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine KRT18, CDC73, PRKDC SKP2 2385/4885TLR8 3102/4885TLR7 2330/4885

“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.