SCHEMBL15212171

SCHEMBL15212171

COc1cc(N)c2c(c1N)SCCO2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ADRA2B P18089 1/20 0.32
PTGS1 P23219 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL15212201 0.88 LMNA (0.36) LMNAMAPTALDH1A1HSD17B10KDM4E
SCHEMBL16282420 0.79 CYP3A4 (0.30) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL15212115 0.74 BACE1 (0.32) MAPTNPC1NPSR1
SCHEMBL15211828 0.73 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL15220647 0.73 NPC1 (0.31) MAPTNPC1NPSR1
SCHEMBL15220631 0.73 NPC1 (0.31) MAPTALDH1A1KDM4ENPC1NPSR1
SCHEMBL15220637 0.73 HTR1A (0.33) MAPTALDH1A1NPC1NPSR1TDP1
SCHEMBL15211938 0.72 NPC1 (0.30) NPC1
SCHEMBL15211736 0.72 HTR2A (0.30) NPC1HTR2AHTR2CHTR2B
SCHEMBL15220640 0.70 NPC1 (0.32) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132073-B2 Oxidation dye precursors HENKEL AG & CO. KGAA (DE) 2015-09-15 US claimed
EP-2816992-A2 NOVEL OXIDATION DYE PRECURSORS Henkel AG & Co. KGaA (DE) 2014-12-31 EP claimed
US-20140359951-A1 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2014-12-11 US claimed
WO-2013124363-A2 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2013-08-29 WO claimed
US-9132073-B2 Oxidation dye precursors HENKEL AG & CO. KGAA (DE) 2015-09-15 US disclosed
US-9132073-B2 Oxidation dye precursors HENKEL AG & CO. KGAA (DE) 2015-09-15 US disclosed
EP-2816992-A2 NOVEL OXIDATION DYE PRECURSORS Henkel AG & Co. KGaA (DE) 2014-12-31 EP disclosed
US-20140359951-A1 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2014-12-11 US disclosed
US-20140359951-A1 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2014-12-11 US disclosed
WO-2013124363-A2 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2013-08-29 WO disclosed
WO-2013124363-A2 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2013-08-29 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-20140359951-A1 NOVEL OXIDATION DYE PRECURSORS KRT18, COXFA4L2, CYB5R3 LMNA 1657/4885MAPT 1239/4885ALDH1A1 106/4885

“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.