SCHEMBL5036006

SCHEMBL5036006

Cn1c(CO)cc2scnc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
COMT P21964 3/20 0.31
TRPM5 Q9NZQ8 1/20 0.31

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
SCHEMBL5036407 0.76 ABCB11 (0.32) ABCB11TRPM5
SCHEMBL5039662 0.73 ALDH1A1 (0.33) ABCB11MEN1KMT2ATRPM5
SCHEMBL5035935 0.72 DYRK1A (0.32) TRPM5
SCHEMBL23159598 0.71 ABCB11 (0.34) ABCB11
SCHEMBL21462093 0.70 ABCB11 (0.49) ABCB11MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL21480348 0.70 ABCB11 (0.35) ABCB11
SCHEMBL21480301 0.70 ABCB11 (0.40) ABCB11MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL23159685 0.69 CTSL (0.33) ABCB11
SCHEMBL29199411 0.69 NPC1 (0.33) KMT2A
SCHEMBL21480311 0.68 ABCB11 (0.34) ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903168-A Pyrrolo [2,3-d ] thiazole derivatives, and preparation method and application thereof 南开大学 2024-04-19 CN claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
CN-117903168-A Pyrrolo [2,3-d ] thiazole derivatives, and preparation method and application thereof 南开大学 2024-04-19 CN disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
CN-1917849-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-21 CN disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B ABCB11 4440/4885MEN1 4806/4885CYP1A2 762/4885

“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.