SCHEMBL6099774

SCHEMBL6099774

CCOC(=O)C(CC(C)S)Nc1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 3/20 0.49
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 6/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37
PPIG Q13427 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL4819944 0.89 CA12 (0.40) PPIDCA12CA1CA2CA9
SCHEMBL6102003 0.84 PPID (0.38) PPIDCA12CA1CA2CA9
SCHEMBL6100982 0.82 PPID (0.43) PPIDCA12CA1CA2CA9
SCHEMBL5930586 0.80 CA12 (0.46) PPIDCA12CA1CA2CA9
SCHEMBL4824543 0.78 L3MBTL1 (0.52) PPIDCA12CA1CA2CA9
SCHEMBL5930579 0.78 CA12 (0.44) PPIDCA12CA1CA2CA9
SCHEMBL4816369 0.77 PPID (0.63) PPIDCA12CA1CA2CA9
SCHEMBL4829862 0.77 CA12 (0.48) PPIDCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL4826620 0.75 CA12 (0.47) PPIDCA12CA1CA2CA9
SCHEMBL6101991 0.75 TAS1R3 (0.39) CA12CA1CA2CA9CYP3A4

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.