SCHEMBL5283985

SCHEMBL5283985

CC(C)=NN=c1n(C)c2ccccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 4/20 0.35
CXCR3 P49682 2/20 0.35
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
NQO2 P16083 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
CASP6 P55212 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5283139 0.80 MAPT (0.35) LMNAALDH1A1CXCR3KDM4ENPC1
SCHEMBL5281629 0.78 LMNA (0.38) LMNAALDH1A1CXCR3KDM4EMAPT
SCHEMBL5284940 0.78 MCL1 (0.37) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL5292407 0.75 ALDH1A1 (0.39) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL19449243 0.75 NPC1 (0.64) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL8015042 0.74 GPR3 (0.41) GPR3LMNAALDH1A1CXCR3KDM4E
SCHEMBL5281140 0.72 MAPT (0.44) LMNAALDH1A1CXCR3RAB9AMAPT
SCHEMBL18778748 0.72 GPR3 (0.39) GPR3LMNAALDH1A1CXCR3KDM4E
SCHEMBL5281385 0.71 KCNQ3 (0.46) GPR3LMNAALDH1A1NPC1RAB9A
SCHEMBL5278396 0.71 MAPT (0.64) LMNAALDH1A1KDM4ENPC1RAB9A

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 3 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 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 GPR3 4579/4885LMNA 1094/4885ALDH1A1 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.