SCHEMBL5158055

SCHEMBL5158055

Nc1oc(-c2ccccc2)nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.54
NOTUM Q6P988 2/20 0.52
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 2/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MECP2 P51608 1/20 0.46
TP53 P04637 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
SCHEMBL11246777 0.79 IKBKB (0.58) IKBKBNOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL11454303 0.78 SMN1; SMN2 (0.47) IKBKBNOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL4741741 0.78 IKBKB (0.56) IKBKBNOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL15716531 0.78 IKBKB (0.56) IKBKBNOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL5154217 0.76 NPC1 (0.51) IKBKBRAB9ANPC1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL15716993 0.76 IKBKB (0.54) IKBKBNOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL13407782 0.72 GAA (0.50) IKBKBRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL652543 0.72 ADK (0.56) IKBKBNOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL5154624 0.72 ALOX15 (0.60) IKBKBNOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL27790569 0.72 IKBKB (0.78) IKBKBALDH1A1KDM4EHPGDHSD17B10

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 IKBKB 4382/4885NOTUM 1891/4885RAB9A 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.