SCHEMBL5153317

SCHEMBL5153317

Nc1cc(-c2ccccc2)c(N)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
BACE1 P56817 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
IKBKB O14920 1/20 0.39
MAOA P21397 1/20 0.38
CYP3A4 P08684 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA1 P30542 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL544902 0.78 TDO2 (0.42) TDO2ALDH1A1HSD17B10BACE1SMARCA2
SCHEMBL543968 0.78 TDO2 (0.42) TDO2ALDH1A1HSD17B10BACE1SMARCA2
SCHEMBL29139906 0.78 TDO2 (0.42) TDO2ALDH1A1HSD17B10BACE1SMARCA2
SCHEMBL29272569 0.78 BACE1 (0.48) TDO2ALDH1A1HSD17B10BACE1SMARCA2
SCHEMBL2368629 0.78 ALDH1A1 (0.41) TDO2ALDH1A1HSD17B10BACE1SMARCA2
SCHEMBL8071081 0.74 ALDH1A1 (0.38) TDO2ALDH1A1HSD17B10BACE1SMARCA2
SCHEMBL8069927 0.74 TDO2 (0.39) TDO2ALDH1A1HSD17B10BACE1SMARCA2
SCHEMBL4259827 0.74 RORB (0.49) ALDH1A1GAAMEN1HPGDKMT2A
SCHEMBL15392129 0.74 TDO2 (0.39) TDO2ALDH1A1HSD17B10BACE1SMARCA2
SCHEMBL7499085 0.74 PLAU (0.44) TDO2ALDH1A1HSD17B10BACE1SMARCA2

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 TDO2 226/4885ALDH1A1 782/4885HSD17B10 588/4885

“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.