SCHEMBL5280145

SCHEMBL5280145

CC(C)=NN=c1sc(-c2ccccc2)c(-c2ccc(Br)cc2)n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
XIAP P98170 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 4/20 0.32
HTT P42858 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL5290622 1.00 CA1 (0.37) CA1CA2ALDH1A1MAPK1XIAP
SCHEMBL5298274 0.92 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5298282 0.92 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5282485 0.88 ALOX5 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5283048 0.87 MAPT (0.39) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL5283041 0.87 MAPT (0.39) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL4616224 0.81 CA1 (0.40) CA1CA2ALDH1A1MAPK1XIAP
SCHEMBL4616221 0.81 CA1 (0.40) CA1CA2ALDH1A1MAPK1XIAP
SCHEMBL5279848 0.78 NPC1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5281141 0.78 NPC1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2

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-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

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 CA1 174/4885CA2 277/4885ALDH1A1 454/4885

“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.