SCHEMBL5285681

SCHEMBL5285681

CC(C)=NN=c1sc2cc([N+](=O)[O-])ccc2n1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
MAPT P10636 7/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP19A1 P11511 1/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
FPR1 P21462 1/20 0.37

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
SCHEMBL5285678 1.00 RAB9A (0.57) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL5280930 0.90 MAPT (0.50) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL5280934 0.90 MAPT (0.50) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL4613949 0.81 RAB9A (0.59) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL4613946 0.81 RAB9A (0.59) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL5281276 0.78 RAB9A (0.56) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL5281281 0.78 RAB9A (0.56) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL5280550 0.78 MAPT (0.44) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL5279659 0.78 TSHR (0.46) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL5279665 0.78 TSHR (0.46) RAB9AMAPTKMT2AMEN1NPC1

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 9 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-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 RAB9A 3143/4885MAPT 1807/4885KMT2A 1273/4885

“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.