SCHEMBL4423484

SCHEMBL4423484

O=S(=O)(O)c1ccc(N=Nc2ccc3ccccc3c2O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 1.00
CYP1A2 P05177 6/20 0.76
MPL P40238 3/20 0.70
CTRC Q99895 2/20 0.70
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
THRB P10828 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP2C9 P11712 3/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 2/20 0.53
CYP2C19 P33261 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
CSNK2A1 P68400 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
NPC1 O15118 2/20 0.52

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
SCHEMBL6654290 0.90 CTRB1 (0.82) CTRB1CYP1A2MPLCTRCKMT2A
SCHEMBL14081232 0.87 CTRB1 (0.76) CTRB1CYP1A2MPLCTRCKMT2A
SCHEMBL3486861 0.86 CTRB1 (0.76) CTRB1CYP1A2MPLCTRCKMT2A
SCHEMBL12960419 0.86 CYP1A2 (0.82) CTRB1CYP1A2MPLCTRCKMT2A
SCHEMBL2810714 0.85 CTRB1 (0.74) CTRB1CYP1A2MPLCTRCKMT2A
SCHEMBL2810711 0.85 CTRB1 (0.74) CTRB1CYP1A2MPLCTRCKMT2A
SCHEMBL30440912 0.85 CTRB1 (0.74) CTRB1CYP1A2MPLCTRCKMT2A
SCHEMBL5701120 0.85 CTRB1 (0.73) CTRB1CYP1A2MPLCTRCKMT2A
SCHEMBL30049470 0.85 CTRB1 (0.73) CTRB1CYP1A2MPLCTRCKMT2A
SCHEMBL6763835 0.85 CTRB1 (0.73) CTRB1CYP1A2MPLCTRCKMT2A

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-20090324656-A1 COSMETIC PREPARATIONS WITH AN ADDITIVE FROM THE BAOBAB TREE ENGELS PETER 2009-12-31 US disclosed
US-20050238679-A1 Taurine-containing preparations for improving the skin barrier BEIERSDORF AG (DE) 2005-10-27 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 (2 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-20050238679-A1 Taurine-containing preparations for improving the skin barrier CETP, CUTA, SPTLC3 CTRB1 2217/4885CYP1A2 923/4885MPL 2296/4885
US-20090324656-A1 COSMETIC PREPARATIONS WITH AN ADDITIVE FROM THE BAOBAB TREE CUTA, BROX, MANBA CTRB1 172/4885CYP1A2 2262/4885MPL 2421/4885

“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.