SCHEMBL4846530

SCHEMBL4846530

O=[N+]([O-])c1ccc(NCCc2cccs2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
HTT P42858 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 7/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL6226976 0.77 L3MBTL1 (0.52) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL9003269 0.77 MAPT (0.70) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4847201 0.76 TAAR1 (0.53) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8782043 0.76 PKM (0.45) HTTMEN1KMT2ANPSR1MAPT
SCHEMBL14073643 0.76 ATM (0.46) HTTSMN1; SMN2NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL4843147 0.75 TAAR1 (0.52) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6712518 0.75 MAPT (0.63) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11261156 0.75 NPC1 (0.52) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL10614890 0.74 MAPT (0.58) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4951837 0.73 ALDH1A1 (0.73) MEN1KMT2AMAPTSMN1; SMN2RAB9A

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 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-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'OREAL S.A. (FR) 2006-01-12 US disclosed
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 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 THRB 4254/4885HTT 2477/4885MEN1 2486/4885
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine KRT18, CDC73, PRKDC THRB 4254/4885HTT 2477/4885MEN1 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.