SCHEMBL5154094

SCHEMBL5154094

Nc1onc(-c2ccccc2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.50
BRD4 O60885 1/20 0.50
PTGS1 P23219 3/20 0.47
PTGS2 P35354 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
GLA P06280 1/20 0.47
MLYCD O95822 1/20 0.46
NOTUM Q6P988 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR4A2 P43354 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7222058 0.79 TDO2 (0.47) TDO2BRD4PTGS1PTGS2KDM4E
SCHEMBL11483660 0.79 BRD4 (0.56) TDO2BRD4PTGS1PTGS2LMNA
SCHEMBL657826 0.79 PTGS1 (0.63) TDO2BRD4PTGS1PTGS2LMNA
SCHEMBL5151144 0.79 PTGS1 (0.53) TDO2BRD4PTGS1PTGS2KDM4E
SCHEMBL19007025 0.75 PTGS1 (0.45) TDO2BRD4PTGS1PTGS2KDM4E
SCHEMBL18670922 0.75 PTGS1 (0.45) TDO2BRD4PTGS1PTGS2KDM4E
SCHEMBL11502502 0.75 TDO2 (0.43) TDO2BRD4PTGS1PTGS2LMNA
SCHEMBL17658840 0.75 TDO2 (0.47) TDO2BRD4PTGS1PTGS2KDM4E
SCHEMBL2201442 0.75 TP53 (0.62) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL27778836 0.75 MEN1 (0.49) PTGS1PTGS2KDM4EALDH1A1HPGD

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 226/4885BRD4 733/4885PTGS1 1829/4885

“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.