Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4849031

Cc1cc(N)ccc1CCCn1cccn1.N

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
MEN1 O00255 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.34
MITF O75030 1/20 0.34
KLKB1 P03952 3/20 0.33
GRIN2B Q13224 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 2/20 0.32

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
SCHEMBL18940351 0.82 TLR8 (0.40) TLR8TLR7MEN1OPRM1OPRD1
Hydrochloric Acid SCHEMBL22283551 0.81 TLR8 (0.39) TLR8TLR7MEN1OPRM1OPRD1
SCHEMBL18940329 0.79 TLR8 (0.41) TLR8TLR7MEN1OPRM1OPRD1
SCHEMBL4849026 0.76 TLR8 (0.49) TLR8TLR7MEN1OPRM1OPRD1
Ammonia Solution, Strong SCHEMBL4845813 0.76 SKP2 (0.55) TLR8TLR7MEN1OPRM1OPRD1
SCHEMBL3482580 0.74 ALDH1A1 (0.52) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL4294198 0.73 KMT2A (0.43) MEN1KMT2AKLKB1ALDH1A1HTT
SCHEMBL18940333 0.73 NLRP3 (0.34) TLR8TLR7KMT2APOLBALDH1A1
SCHEMBL13264102 0.72 SKP2 (0.47) TLR8MEN1KMT2AALOX5ALDH1A1
SCHEMBL28870838 0.72 ALDH1A1 (0.50) MEN1KMT2AALOX5ALDH1A1L3MBTL1

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 TLR8 3102/4885TLR7 2330/4885MEN1 2486/4885
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine KRT18, CDC73, PRKDC TLR8 3102/4885TLR7 2330/4885MEN1 2486/4885

“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.