SCHEMBL6102003

SCHEMBL6102003

CCOC(=O)C(CC(C)S)Nc1ccc(N)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.38
CA12 O43570 6/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
RECQL P46063 2/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 4/20 0.34
RAB9A P51151 3/20 0.34
DHODH Q02127 1/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6101991 0.91 TAS1R3 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL6099774 0.84 PPID (0.49) PPIDCA12CA1CA2CA9
SCHEMBL5930675 0.82 CA12 (0.39) PPIDCA12CA1CA2CA9
SCHEMBL5930595 0.80 L3MBTL1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL4828317 0.80 L3MBTL1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL4817666 0.79 PPID (0.50) PPIDCA12CA1CA2CA9
SCHEMBL6100982 0.78 PPID (0.43) PPIDCA12CA1CA2CA9
SCHEMBL4828246 0.75 ALDH1A1 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL12020227 0.75 PPID (0.46) PPIDCA12CA1CA2CA9
SCHEMBL4824656 0.75 ELANE (0.48) RAB9ANPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPID 369/4885CA12 856/4885CA1 1827/4885

“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.