SCHEMBL5281384

SCHEMBL5281384

CC(C)=N/N=c1\oc2ccccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
ALDH1A1 P00352 7/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 3/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 1/20 0.34
PAX8 Q06710 1/20 0.34
HPGD P15428 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
GPR3 P46089 1/20 0.31
IDO1 P14902 1/20 0.31
TP53 P04637 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
SCHEMBL5281385 1.00 KCNQ3 (0.46) KCNQ3KCNQ2ALDH1A1LMNAHTT
SCHEMBL2520354 0.86 KCNQ3 (0.49) KCNQ3KCNQ2ALDH1A1LMNANPC1
SCHEMBL2518002 0.86 KCNQ3 (0.49) KCNQ3KCNQ2ALDH1A1LMNANPC1
SCHEMBL2518009 0.86 KCNQ3 (0.49) KCNQ3KCNQ2ALDH1A1LMNANPC1
SCHEMBL2518006 0.86 KCNQ3 (0.49) KCNQ3KCNQ2ALDH1A1LMNANPC1
SCHEMBL5284328 0.80 KDM4E (0.34) KCNQ3KCNQ2ALDH1A1LMNAHTT
SCHEMBL5284323 0.80 KDM4E (0.34) KCNQ3KCNQ2ALDH1A1LMNAHTT
SCHEMBL19449269 0.79 NPC1 (0.56) KCNQ3KCNQ2ALDH1A1HTTNPC1
SCHEMBL4615937 0.75 KCNQ3 (0.44) KCNQ3KCNQ2ALDH1A1LMNANPC1
SCHEMBL4615936 0.75 KCNQ3 (0.44) KCNQ3KCNQ2ALDH1A1LMNANPC1

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 KCNQ3 839/4885KCNQ2 716/4885ALDH1A1 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.