SCHEMBL5903394

SCHEMBL5903394

Nc1cccc(NCCCn2ccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ATM Q13315 1/20 0.55
SOD1 P00441 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
QPCT Q16769 7/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.48
EGFR P00533 3/20 0.48

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
SCHEMBL2539814 0.84 SOD1 (0.57) NPC1RAB9AATMSOD1MEN1
Hydrochloric Acid SCHEMBL5191266 0.83 SOD1 (0.56) NPC1RAB9AATMSOD1MEN1
SCHEMBL11495035 0.83 SOD1 (0.67) NPC1RAB9AATMSOD1MEN1
3-Aminophenol SCHEMBL15793122 0.82 QPCT (0.49) NPC1RAB9AATMSOD1MEN1
SCHEMBL291484 0.80 QPCT (0.54) NPC1RAB9AATMSOD1MEN1
Hydrochloric Acid SCHEMBL19549172 0.79 QPCT (0.53) NPC1RAB9AATMSOD1MEN1
Hydrochloric Acid SCHEMBL4396866 0.79 QPCT (0.53) NPC1RAB9AATMSOD1MEN1
SCHEMBL5903400 0.79 POLB (0.66) NPC1RAB9AATMSOD1MEN1
SCHEMBL9984729 0.78 EGFR (0.46) SOD1MEN1KMT2AQPCTALDH1A1
SCHEMBL15793526 0.77 QPCT (0.51) NPC1RAB9AATMSOD1MEN1

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-7135047-B2 M-phenylenediamine derivatives as coupler components for the coloring of keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-11-14 US claimed
US-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-01-26 US claimed
EP-1575538-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP claimed
WO-2004058201-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
US-7135047-B2 M-phenylenediamine derivatives as coupler components for the coloring of keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-11-14 US disclosed
US-7135047-B2 M-phenylenediamine derivatives as coupler components for the coloring of keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-11-14 US disclosed
US-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-01-26 US disclosed
US-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-01-26 US disclosed
EP-1575538-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP disclosed
WO-2004058201-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO 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 (1 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-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres KRT18, VIM, TPM4 NPC1 4754/4885RAB9A 4476/4885ATM 2735/4885

“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.