SCHEMBL5174374

SCHEMBL5174374

Nc1ncc(NCC(O)CO)o1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
GLA P06280 1/20 0.35
CHEK1 O14757 1/20 0.34
CDK1 P06493 1/20 0.34
PRKDC P78527 1/20 0.33
IDH2 P48735 3/20 0.30
EGFR P00533 2/20 0.30

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
SCHEMBL5150714 0.77 KDM4E (0.35) P2RX3P2RX2GLACHEK1CDK1
SCHEMBL5156357 0.75 GLA (0.36) P2RX3P2RX2GLACHEK1CDK1
SCHEMBL5157920 0.71 CHEK1 (0.33) CHEK1CDK1PRKDCIDH2
SCHEMBL5174221 0.70
SCHEMBL5174171 0.68 GLA (0.33) GLACHEK1CDK1PRKDCIDH2
SCHEMBL5174652 0.68 CHEK1 (0.39) P2RX3P2RX2GLACHEK1CDK1
SCHEMBL7897990 0.68 EGFR (0.41) GLACHEK1CDK1PRKDCEGFR
SCHEMBL5154301 0.68 MAPK14 (0.36) P2RX3P2RX2GLACHEK1CDK1
SCHEMBL5176229 0.68 CHEK1 (0.39) P2RX3P2RX2GLACHEK1CDK1
SCHEMBL30716707 0.68 EGFR (0.41) GLACHEK1CDK1PRKDCEGFR

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 P2RX3 4594/4885P2RX2 4662/4885GLA 314/4885

“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.