SCHEMBL10100626

SCHEMBL10100626

SCC[n+]1ccccc1/C=C/c1ccc(N2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
APOBEC3A P31941 1/20 0.42
GFER P55789 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MAPT P10636 5/20 0.41
APP P05067 2/20 0.41
SNCA P37840 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGS2 P35354 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ACHE P22303 3/20 0.38

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
SCHEMBL2311735 0.86 KDM4A (0.41) KDM4AKDM2AMEN1NPC1RAB9A
SCHEMBL2311730 0.86 KDM4A (0.41) KDM4AKDM2AMEN1NPC1RAB9A
Bromide SCHEMBL559147 0.85 KDM4A (0.40) KDM4AKDM2AMEN1NPC1RAB9A
Bromide SCHEMBL559146 0.85 KDM4A (0.40) KDM4AKDM2AMEN1NPC1RAB9A
SCHEMBL10845446 0.82 KDM4A (0.63) KDM4AKDM2AMEN1NPC1RAB9A
SCHEMBL10843705 0.82 KDM4A (0.63) KDM4AKDM2AMEN1NPC1RAB9A
SCHEMBL10843804 0.82 KDM4A (0.63) KDM4AKDM2AMEN1NPC1RAB9A
SCHEMBL10845863 0.82 KDM4A (0.63) KDM4AKDM2AMEN1NPC1RAB9A
SCHEMBL19648998 0.82 KDM4A (0.38) KDM4AKDM2AMEN1NPC1RAB9A
Bromide SCHEMBL10844247 0.81 KDM4A (0.61) KDM4AKDM2AMEN1NPC1RAB9A

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
US-20120031422-A9 FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY L'OREAL S.A. (FR) 2012-02-09 US disclosed
US-20110011417-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL S.A. (FR) 2011-01-20 US disclosed
WO-2007110539-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A HETEROCYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 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 (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-20120031422-A9 FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY KRT18, KRTCAP2, DSG1 KDM4A 1286/4885KDM2A 1783/4885MEN1 3184/4885
US-20110011417-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE KRT18, CYBA, KRTCAP2 KDM4A 1832/4885KDM2A 2648/4885MEN1 3808/4885

“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.