SCHEMBL4823955

SCHEMBL4823955

NC(=O)C(O)S(=O)(=O)CCNc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
PRMT1 Q99873 4/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
APP P05067 1/20 0.36
CYP2D6 P10635 1/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4825540 0.82 MAPT (0.49) CYP2C19RAB9AMAPTCYP3A4CA1
SCHEMBL4824657 0.78 RAB9A (0.41) CYP2C19PKMRAB9AMAPTPRMT1
SCHEMBL4825163 0.75 CYP2D6 (0.59) CYP2C19PKMRAB9AMAPTPRMT1
SCHEMBL4821832 0.73 RECQL (0.50) CYP2C19RAB9AMAPTPRMT1CYP3A4
SCHEMBL4818407 0.73 APP (0.43) CYP2C19PKMRAB9AMAPTPRMT1
Hydrochloric Acid SCHEMBL4823442 0.72 RECQL (0.53) CYP2C19RAB9AMAPTPRMT1CYP3A4
Hydrochloric Acid SCHEMBL4824149 0.72 GAA (0.42) CYP2C19PKMMAPTPRMT1CYP3A4
SCHEMBL6102357 0.72 RAB9A (0.36) CYP2C19PKMRAB9AMAPTPRMT1
SCHEMBL8087915 0.71 APP (0.39) CYP2C19PKMRAB9AMAPTPRMT1
SCHEMBL4854754 0.70 MAPT (0.44) CYP2C19PKMRAB9AMAPTPRMT1

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-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'OREAL S.A. (FR) 2006-01-12 US disclosed
EP-1568687-A1 Sulphur-containing secondary para-Phenylenediamines, dying composition containing such para-phenylenediamines and methods using this composition and use L'OREAL (FR) 2005-08-31 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-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof KRT18, CDC73, DSG1 CYP2C19 3853/4885PKM 36/4885RAB9A 3842/4885

“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.