SCHEMBL5157724

SCHEMBL5157724

Nc1nnc(Nc2ccccc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.57
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
ALOX15 P16050 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CSNK2A1 P68400 1/20 0.50
PLK3 Q9H4B4 1/20 0.50
ALDH1A1 P00352 9/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
USP2 O75604 1/20 0.45
CLK1 P49759 1/20 0.45

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
SCHEMBL11666704 0.85 RAB9A (0.59) NPC1RAB9ASMN1; SMN2ALOX15MEN1
SCHEMBL10988155 0.82 ALDH1A1 (0.46) SCN9ANPC1RAB9AMEN1KMT2A
SCHEMBL23220335 0.81 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALOX15MEN1
SCHEMBL8966140 0.81 SCN9A (0.58) SCN9ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19003739 0.77 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALOX15MEN1
SCHEMBL23220354 0.76 RAB9A (0.58) NPC1RAB9ASMN1; SMN2ALOX15MEN1
SCHEMBL12015939 0.76 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALOX15MEN1
SCHEMBL8045369 0.76 RAB9A (0.51) NPC1RAB9ASMN1; SMN2ALOX15MEN1
SCHEMBL28355853 0.75 CCNA2 (0.56) SCN9ANPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL23220293 0.74 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALOX15MEN1

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-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 SCN9A 2458/4885NPC1 4814/4885RAB9A 4235/4885

“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.