SCHEMBL5286739

SCHEMBL5286739

CCCCn1c(-c2ccccc2)c(-c2ccccc2)sc1=NN=C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.36
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
CTNNB1 P35222 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TLR8 Q9NR97 1/20 0.32
NPC1 O15118 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
SCHEMBL5286732 1.00 TSHR (0.40) TSHRALDH1A1ALPLALPGMAPT
SCHEMBL5293037 0.92 MAPT (0.34) TSHRALDH1A1MAPTHTTSIRT2
SCHEMBL5281004 0.92 MAPT (0.34) TSHRALDH1A1MAPTHTTSIRT2
SCHEMBL4615038 0.82 TSHR (0.44) TSHRALDH1A1ALPLALPGMAPT
SCHEMBL4615037 0.82 TSHR (0.44) TSHRALDH1A1ALPLALPGMAPT
SCHEMBL5283709 0.81 ALDH1A1 (0.35) TSHRALDH1A1MAPTL3MBTL1TDP1
SCHEMBL5283755 0.80 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1HTTSMN1; SMN2
SCHEMBL5283752 0.80 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1HTTSMN1; SMN2
SCHEMBL5298282 0.80 ALDH1A1 (0.37) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL5284131 0.75 CNR1 (0.52) TSHRALDH1A1MAPTHTTSMN1; SMN2

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-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed
US-7294151-B2 Means and method for dyeing keratin fibres WELLA AG (DE) 2007-11-13 US claimed
US-20060070190-A1 Means and method for dyeing keratin fibres KOYO SEIKO CO., LTD. (JP) 2006-04-06 US claimed
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP disclosed
US-7294151-B2 Means and method for dyeing keratin fibres WELLA AG (DE) 2007-11-13 US disclosed
US-20060070190-A1 Means and method for dyeing keratin fibres KOYO SEIKO CO., LTD. (JP) 2006-04-06 US disclosed
EP-1599178-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078151-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 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-20060070190-A1 Means and method for dyeing keratin fibres KRT18, KLK5, KIT TSHR 4311/4885ALDH1A1 454/4885ALPL 204/4885

“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.