SCHEMBL5494433

SCHEMBL5494433

Nc1ccc(NCC(O)CO)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
CDK1 P06493 1/20 0.37
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
IDH2 P48735 3/20 0.31
GLA P06280 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL5176229 0.76 CHEK1 (0.39) CHEK1CDK1GLAKCNJ5KCNJ3
SCHEMBL5174652 0.72 CHEK1 (0.39) CHEK1CDK1GLA
SCHEMBL5171755 0.70 NUDT1 (0.41) CDK1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL33651 0.68 MAPT (0.41) ALDH1A1HPGDCYP1A2IDH2
SCHEMBL5172906 0.68 PKM (0.38) CHEK1CDK1KDM4EALDH1A1IDH2
SCHEMBL3919119 0.66 ALDH1A1 (0.41) ALDH1A1HPGDCYP1A2
SCHEMBL3937332 0.66 EGFR (0.41) CHEK1CDK1CYP1A2GLA
SCHEMBL30716707 0.66 EGFR (0.41) CHEK1CDK1CYP1A2GLA
SCHEMBL26626445 0.66 EGFR (0.41) CHEK1CDK1CYP1A2GLA
SCHEMBL7897990 0.66 EGFR (0.41) CHEK1CDK1CYP1A2GLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US 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 CHEK1 1300/4885CDK1 1402/4885KDM4E 756/4885

“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.