SCHEMBL5154150

SCHEMBL5154150

Nc1ncc(NCC(O)CO)s1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.34
MAPK14 Q16539 1/20 0.34
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
NOS1 P29475 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
CA2 P00918 1/20 0.32
CSNK2A1 P68400 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
GRM8 O00222 1/20 0.30
GRM4 Q14833 1/20 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
SCHEMBL5492793 0.75 NOS1 (0.38) CDK1NOS1KDM4EALDH1A1
SCHEMBL5154301 0.73 MAPK14 (0.36) GLAMAPK14CHEK1CDK1KDM4E
SCHEMBL5151123 0.72 NUDT1 (0.42) CHEK1CDK1NOS1KDM4EALDH1A1
SCHEMBL5155018 0.72 CA2 (0.33) CHEK1CDK1KDM4EALDH1A1CA2
SCHEMBL5153943 0.69 GLA (0.33) GLAKDM4EALDH1A1P2RX3P2RX2
SCHEMBL5173636 0.69 GLS (0.33)
SCHEMBL5156446 0.69 AR (0.32) KDM4EALDH1A1CA2
SCHEMBL5174374 0.68 P2RX3 (0.35) GLACHEK1CDK1P2RX3P2RX2
SCHEMBL24072411 0.68
SCHEMBL7897990 0.67 EGFR (0.41) GLACHEK1CDK1

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 GLA 314/4885MAPK14 1571/4885CHEK1 1300/4885

“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.