SCHEMBL13043678

SCHEMBL13043678

CN(C)CC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 4/20 0.65
▸ KDM2A Q9Y2K7 4/20 0.65
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ MAPT P10636 4/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ CASP1 P29466 2/20 0.59
▸ HBB P68871 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ GFER P55789 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ BRCA1 P38398 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ ALPG P10696 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53

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
SCHEMBL14984144 0.89 KDM4A (0.73) KDM4AKDM2AMEN1KMT2AMAPT
Iodide SCHEMBL10933725 0.89 KDM4A (0.71) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL5506378 0.86 KDM4A (0.65) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL5506380 0.86 KDM4A (0.65) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL13043779 0.86 KDM4A (0.57) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL13645407 0.86 KDM4A (0.84) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL14984138 0.86 KDM4A (0.79) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL12533259 0.84 KDM4A (0.88) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL9278791 0.82 KDM4A (0.69) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL13428287 0.82 KDM4A (0.69) KDM4AKDM2AMEN1KMT2AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937780-B1 MIXTURE OF SULFIDE DYES BASF SE (DE) 2013-02-13 — — EP disclosed
US-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 — — US disclosed
US-7811335-B2 Hair dyes; deep dying; colorfast yet removable with an aqueous solution containing a reduction agent to disrupt the -S-S- bonds between the dye and the hair; quaternary pyridinium; disulfide; CIBA SPECIALTY CHEMICALS CORP. (US) 2010-10-12 — — US disclosed
US-20100000028-A1 Styryl sulfide dyes CIBA SPECIALTY CHEMICALS CORP. 2010-01-07 — — US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 — — 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 (2 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-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA KDM4A 2282/4885KDM2A 2249/4885MEN1 4052/4885
US-20100000028-A1 Styryl sulfide dyes C5, CBR3, C9 KDM4A 2313/4885KDM2A 3680/4885MEN1 1985/4885

“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.

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