Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4847663

Cc1cc(CCc2ccccn2)ccc1N.N

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.49
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 2/20 0.46
HRH1 P35367 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ALOX15 P16050 2/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL9376123 0.84 HRH1 (0.52) CYP2D6CYP1A2HRH1L3MBTL1NPSR1
SCHEMBL18343632 0.81 ATM (0.51) CYP2D6CYP1A2HRH1L3MBTL1HRH3
SCHEMBL9374888 0.80 KDM4E (0.49) CYP2D6CYP1A2HRH1L3MBTL1HRH3
SCHEMBL9379876 0.79 ALOX15 (0.55) CYP2D6CYP1A2HRH1L3MBTL1NPSR1
SCHEMBL841783 0.78 SKP2 (0.73) SKP2CYP1A2ALOX15ALDH1A1RECQL
SCHEMBL31634603 0.78 SKP2 (0.73) SKP2CYP1A2ALOX15ALDH1A1RECQL
SCHEMBL9380732 0.77 PKM (0.47) CYP2D6CYP1A2HRH1L3MBTL1ALOX15
SCHEMBL9376859 0.77 CYP1A2 (0.47) CYP2D6CYP1A2HRH1L3MBTL1HRH3
SCHEMBL15411938 0.77 NPC1 (0.45) CYP2D6HRH1L3MBTL1HRH3ALOX15
SCHEMBL3482834 0.76 SKP2 (0.70) SKP2CYP1A2TAAR1ALDH1A1KDM4E

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 2385/4885CYP2D6 1330/4885CYP1A2 1286/4885
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine KRT18, CDC73, PRKDC SKP2 2385/4885CYP2D6 1330/4885CYP1A2 1286/4885

“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.