SCHEMBL5284491

SCHEMBL5284491

C=CCn1ccsc1=NN=C(C)C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
PPARG P37231 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
SCHEMBL5298460 1.00 NPC1 (0.32) NPC1RAB9AMAPTJAK2ALDH1A1
SCHEMBL5284945 0.78 NPC1 (0.32) NPC1RAB9AJAK2ALDH1A1HTT
SCHEMBL5285497 0.76 NPC1 (0.31) NPC1RAB9AJAK2ALDH1A1HTT
SCHEMBL4614226 0.75 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6
SCHEMBL4614229 0.75 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6
SCHEMBL5278267 0.71 MAPT (0.56) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL5278263 0.71 MAPT (0.56) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL5278410 0.71 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5291138 0.71 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5280017 0.68 MAPT (0.39) NPC1RAB9AMAPTALDH1A1

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

“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.