SCHEMBL5157908

SCHEMBL5157908

Nc1cnc(NCCO)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
POLB P06746 3/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CDK1 P06493 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDR P35968 1/20 0.31
NUDT1 P36639 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CYP3A4 P08684 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 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
SCHEMBL5150994 0.89 NUDT1 (0.42) POLBALDH1A1CDK1CYP1A2KDR
SCHEMBL5150714 0.69 KDM4E (0.35) KDM4EPOLBGAAALDH1A1CYP2D6
SCHEMBL5174688 0.68 POLB (0.34) KDM4EPOLBCYP2D6CYP2C19MAPK1
SCHEMBL5039760 0.67 CYP2D6 (0.37) KDM4EPOLBGAACYP2D6CYP2C19
SCHEMBL7899279 0.65 GAA (0.42) KDM4EPOLBGAAALDH1A1CYP2D6
SCHEMBL5154411 0.64 MAPK1 (0.38) KDM4EPOLBGAAALDH1A1CYP2D6
SCHEMBL11278949 0.64
SCHEMBL5173673 0.64 KDM4E (0.34) KDM4EPOLBGAAALDH1A1CYP2D6
SCHEMBL5037308 0.63 KDM4E (0.47) KDM4EPOLBGAAALDH1A1CYP2D6
SCHEMBL5037006 0.62 CYP2D6 (0.36) KDM4EPOLBGAAALDH1A1CYP2D6

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 KDM4E 756/4885POLB 1167/4885GAA 3450/4885

“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.