SCHEMBL4823221

SCHEMBL4823221

Cc1cc(NC(CO)C(S)Cc2ccccc2)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
TRPA1 O75762 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TACR1 P25103 1/20 0.32
PIN1 Q13526 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 2/20 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
SCHEMBL4823298 0.81 RAB9A (0.40) CYP3A4ALDH1A1MAPTTRPA1MEN1
SCHEMBL6102882 0.79 CA12 (0.40) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL6101429 0.78 TP53 (0.44) ALDH1A1MAPTTP53TACR1KDM4E
SCHEMBL4825576 0.78 CYP1A2 (0.42) CYP3A4THRBMAPTTRPA1NPC1
SCHEMBL4823227 0.78 LMNA (0.41) CYP3A4ALDH1A1THRBALOX15RECQL
SCHEMBL4861347 0.77 ALDH1A1 (0.46) CYP3A4ALDH1A1THRBALOX15RECQL
SCHEMBL4854168 0.73 ALDH1A1 (0.43) CYP3A4ALDH1A1THRBALOX15RECQL
SCHEMBL3863727 0.72 ALDH1A1 (0.50) CYP3A4ALDH1A1THRBALOX15RECQL
SCHEMBL4821873 0.72 ALDH1A1 (0.37) CYP3A4ALDH1A1THRBALOX15RECQL
Hydrochloric Acid SCHEMBL3858550 0.70 ALDH1A1 (0.49) CYP3A4ALDH1A1THRBALOX15RECQL

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 2 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

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 CYP3A4 3389/4885ALDH1A1 1148/4885THRB 4417/4885

“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.