SCHEMBL5044327

SCHEMBL5044327

Nc1nc2sc(O)nn2c1O

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL5044336 0.83 CA12 (0.30) CA12CA1CA2CA3CA4
SCHEMBL5044323 0.74 CDK1 (0.30) CA12CA1CA2CA3CA4
SCHEMBL5566137 0.68 CHEK1 (0.40)
SCHEMBL5044187 0.63 TP53 (0.36)
SCHEMBL5045999 0.62
SCHEMBL5040325 0.61
SCHEMBL5040213 0.60
SCHEMBL5048918 0.56 TP53 (0.33) CA12CA1CA2CA3CA4
SCHEMBL5045250 0.55
SCHEMBL5044471 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744720-B1 KERATIN DYEING COMPOSITIONS CONTAINING bicyclic 5-5 heteroaromatic compounds PROCTER & GAMBLE (US) 2008-11-26 EP claimed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 US claimed
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-01 US claimed
EP-1744720-B1 KERATIN DYEING COMPOSITIONS CONTAINING bicyclic 5-5 heteroaromatic compounds PROCTER & GAMBLE (US) 2008-11-26 EP disclosed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 US disclosed
EP-1744720-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-24 EP disclosed
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-01 US disclosed
WO-2005079735-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-01 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-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, JUP, CKMT1A; CKMT1B CA12 1722/4885CA1 1375/4885CA2 2017/4885

“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.