SCHEMBL4819944

SCHEMBL4819944

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
PPID Q08752 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ELANE P08246 3/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL6099774 0.89 PPID (0.49) CA12CA1CA2CA9PPID
SCHEMBL6101991 0.82 TAS1R3 (0.39) CA12CA1CA2CA9TAS1R3
SCHEMBL6099965 0.80 MAPT (0.40) PPIDTAS1R3TAS1R1ADRB2ADRB1
SCHEMBL5930583 0.79 CA12 (0.43) CA12CA1CA2CA9SCN1A
SCHEMBL5930572 0.77 CA12 (0.52) CA12CA1CA2CA9ADRB2
SCHEMBL4816353 0.75 GAA (0.53) CA12CA1CA2CA9PPID
SCHEMBL14253849 0.75 GAA (0.53) CA12CA1CA2CA9PPID
Hydrochloric Acid SCHEMBL4818351 0.74 GAA (0.52) CA12CA1CA2CA9PPID
SCHEMBL14089664 0.73 CA12 (0.37) CA12CA1CA2CA9SCN1A
SCHEMBL6102003 0.73 PPID (0.38) CA12CA1CA2CA9PPID

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 CA12 856/4885CA1 1827/4885CA2 2100/4885

“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.