SCHEMBL5157183

SCHEMBL5157183

CNc1oc(N)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.33
ALDH1A1 P00352 8/20 0.33
GAA P10253 6/20 0.33
HPGD P15428 5/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 7/20 0.33
CHUK O15111 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
CRHBP P24387 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL5153973 0.79 PGK1 (0.38) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL5150653 0.77 SMN1; SMN2 (0.37) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL27646985 0.73 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5156419 0.73 CCNA2 (0.41) KDM4EALDH1A1HPGDCHUKTDP1
SCHEMBL5150825 0.72
SCHEMBL5153935 0.71 ALDH1A1 (0.38) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL14088960 0.69 KDM4E (0.61) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL5150968 0.69 GLA (0.41) CYP1A2CYP3A4MAPK1GLA
SCHEMBL5157889 0.68 ALDH1A1 (0.37) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL5154769 0.64 KDM4E (0.42) KDM4EALDH1A1GAAHPGDKMT2A

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 7 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
CN-1913865-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-14 CN 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 756/4885ALDH1A1 782/4885GAA 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.