SCHEMBL5280017

SCHEMBL5280017

C=CCn1c(C(C)(C)C)csc1=NN=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL5278267 0.81 MAPT (0.56) MAPTNPC1RAB9ALMNATSHR
SCHEMBL5278263 0.81 MAPT (0.56) MAPTNPC1RAB9ALMNATSHR
SCHEMBL4615132 0.80 MAPT (0.36) MAPTNPC1RAB9ALMNATSHR
SCHEMBL4615135 0.80 MAPT (0.36) MAPTNPC1RAB9ALMNATSHR
Hydrochloric Acid SCHEMBL4827333 0.78 MAPT (0.36) MAPTNPC1RAB9ALMNATSHR
SCHEMBL5281467 0.75 SMN1; SMN2 (0.44) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5281464 0.75 SMN1; SMN2 (0.44) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5280933 0.74
SCHEMBL5280929 0.74
SCHEMBL4616659 0.71 CYP3A4 (0.41) MAPTNPC1RAB9ACNR2ALDH1A1

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 MAPT 1807/4885NPC1 4843/4885RAB9A 3143/4885

“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.