SCHEMBL5040338

SCHEMBL5040338

COc1nc2sccc2s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NTRK1 P04629 1/20 0.32
LTK P29376 1/20 0.32
TYRO3 Q06418 1/20 0.32
NTRK2 Q16620 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 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
SCHEMBL5036804 0.79 KMT2A (0.34) MAPTTSHRRAB9ALMNAALDH1A1
SCHEMBL2931821 0.72
SCHEMBL592606 0.72 L3MBTL1 (0.34) RAB9ANTRK1LTKTYRO3NTRK2
SCHEMBL5040263 0.68
SCHEMBL5040034 0.68
SCHEMBL14788725 0.65 ALDH1A1 (0.46) MAPTTSHRRAB9ALMNAALDH1A1
SCHEMBL347497 0.65 SMN1; SMN2 (0.54) MAPTTSHRRAB9AALDH1A1POLB
SCHEMBL14788799 0.64
SCHEMBL10670562 0.64 SMN1; SMN2 (0.53) MAPTTSHRRAB9AALDH1A1POLB
SCHEMBL10670085 0.64 SMN1; SMN2 (0.53) MAPTTSHRRAB9AALDH1A1POLB

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
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
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 MAPT 439/4885TSHR 4853/4885RAB9A 3830/4885

“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.