SCHEMBL6568664

SCHEMBL6568664

O=[N+]([O-])C(S[S])c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.42
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
SRC P12931 2/20 0.37
CYP2D6 P10635 1/20 0.37
ACP3 P15309 1/20 0.37
NPC1 O15118 1/20 0.36
ADAM17 P78536 1/20 0.36
MAPK1 P28482 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MGLL Q99685 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL3701092 0.83 GSR (0.44) GSRKDM4EMAPTNPSR1TDP1
SCHEMBL5526317 0.79 GSR (0.42) GSRKDM4EMAPTNPSR1TDP1
SCHEMBL28852021 0.79 GSR (0.42) GSRKDM4EMAPTNPSR1TDP1
SCHEMBL15811785 0.79 GSR (0.42) GSRKDM4EMAPTNPSR1TDP1
SCHEMBL3701094 0.78 GSR (0.44) GSRKDM4EMAPTNPSR1TDP1
SCHEMBL407211 0.75 GSR (0.42) GSRKDM4EMAPTNPSR1TDP1
Bromide SCHEMBL4917874 0.73 MAPK1 (0.47) GSRKDM4EMAPTNPSR1TDP1
SCHEMBL28360704 0.73 LMNA (0.44) GSRKMT2ALMNASRCCYP2D6
SCHEMBL5610382 0.71 LMNA (0.42) GSRKDM4EMAPTNPSR1TDP1
SCHEMBL156309 0.71 GSR (0.46) GSRKMT2ALMNAALDH1A1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040208843-A1 Cosmetic composition comprising an exogenous ligand-receptor system adsorbed or covalently attached to keratin materials, and hair treatment using this composition or constituent elements thereof L'OREAL S.A. (FR) 2004-10-21 US claimed
EP-1402880-A1 Cosmetic composition containing an exogenic ligand-receptor-system for binding to keratinic materials and hair treatment with this composition or it's constituting elements L'OREAL (FR) 2004-03-31 EP claimed
US-20040208843-A1 Cosmetic composition comprising an exogenous ligand-receptor system adsorbed or covalently attached to keratin materials, and hair treatment using this composition or constituent elements thereof L'OREAL S.A. (FR) 2004-10-21 US disclosed
EP-1402880-A1 Cosmetic composition containing an exogenic ligand-receptor-system for binding to keratinic materials and hair treatment with this composition or it's constituting elements L'OREAL (FR) 2004-03-31 EP 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-20040208843-A1 Cosmetic composition comprising an exogenous ligand-receptor system adsorbed or covalently attached to keratin materials, and hair treatment using this composition or constituent elements thereof KRT18, CUTA, MC1R GSR 2482/4885KDM4E 2623/4885MAPT 870/4885

“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.