SCHEMBL5280716

SCHEMBL5280716

CC(C)=NN=c1scc(C)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 6/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 2/20 0.39
ALOX12 P18054 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
GAA P10253 4/20 0.36
PTGS2 P35354 3/20 0.36
MAPT P10636 3/20 0.36
ALOX5 P09917 1/20 0.36
MGAM O43451 2/20 0.34

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
SCHEMBL5280714 1.00 CYP1A2 (0.50) CYP1A2CYP2C19LMNAL3MBTL1MAPK1
SCHEMBL5282307 0.82 RXFP1 (0.54) LMNAL3MBTL1MAPK1RAB9AALDH1A1
SCHEMBL5282302 0.82 RXFP1 (0.54) LMNAL3MBTL1MAPK1RAB9AALDH1A1
SCHEMBL5278190 0.81 L3MBTL1 (0.37) CYP1A2CYP2C19LMNAL3MBTL1ALDH1A1
SCHEMBL5278187 0.81 L3MBTL1 (0.37) CYP1A2CYP2C19LMNAL3MBTL1ALDH1A1
SCHEMBL5287646 0.77 RXFP1 (0.44) LMNAL3MBTL1MAPK1SMN1; SMN2RXFP1
SCHEMBL4616637 0.77 CYP1A2 (0.56) CYP1A2CYP2C19LMNAL3MBTL1MAPK1
SCHEMBL4616638 0.77 CYP1A2 (0.56) CYP1A2CYP2C19LMNAL3MBTL1MAPK1
SCHEMBL23728036 0.76 CYP1A2 (0.51) CYP1A2CYP2C19LMNAL3MBTL1MAPK1
SCHEMBL23728038 0.76 CYP1A2 (0.51) CYP1A2CYP2C19LMNAL3MBTL1MAPK1

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 10 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-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP claimed
WO-2004078151-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO 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 CYP1A2 4110/4885CYP2C19 3789/4885LMNA 1094/4885

“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.