SCHEMBL5175459

SCHEMBL5175459

Nc1c[nH]c(C(=O)O)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
GFER P55789 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
IDO1 P14902 1/20 0.33
GLA P06280 1/20 0.33
PPM1B O75688 1/20 0.32
NOTUM Q6P988 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 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
SCHEMBL13168499 0.79 KDM4E (0.39) KDM4EKMT2AGFERRXFP1IDO1
SCHEMBL6831528 0.79 MMP2 (0.38) KDM4EKMT2AGFERRXFP1NOTUM
SCHEMBL27708758 0.77 GPR35 (0.33) KDM4EGLANOTUM
SCHEMBL875350 0.77 KDM4E (0.39) KDM4EKMT2ANOTUMALDH1A1HPGD
SCHEMBL27479238 0.77 NOTUM (0.47) KDM4EKMT2ANOTUMHPGDHSD17B10
Hydrochloric Acid SCHEMBL6941254 0.76 KDM4E (0.38) KDM4EKMT2ANOTUMALDH1A1HPGD
SCHEMBL27809850 0.73 CCNC (0.40) KDM4EGFERRXFP1NOTUMALDH1A1
Alcohol SCHEMBL27460337 0.71 NOTUM (0.41) KDM4ENOTUM
SCHEMBL14662524 0.69 NAPRT (0.37) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL5174952 0.67 NOTUM (0.40) KDM4EKMT2AGFERRXFP1NOTUM

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 5 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
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 756/4885KMT2A 1179/4885GFER 296/4885

“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.