SCHEMBL13460840

SCHEMBL13460840

Cc1cc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1/N=N/c1ccc(Nc2ccc(S(=O)(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 7/20 0.44
▸ MAPK1 P28482 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ ENPP2 Q13822 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ APEX1 P27695 1/20 0.38

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
SCHEMBL13461109 0.92 ALDH3A1 (0.46) ALDH3A1MAPK1MAPTTDP1LMNA
SCHEMBL30371789 0.92 ALDH3A1 (0.46) ALDH3A1MAPK1MAPTTDP1LMNA
SCHEMBL14023358 0.92 ALDH3A1 (0.46) ALDH3A1MAPK1MAPTTDP1LMNA
SCHEMBL29384404 0.92 ALDH3A1 (0.46) ALDH3A1MAPK1MAPTTDP1LMNA
SCHEMBL13433703 0.87 ALDH3A1 (0.38) ALDH3A1MAPK1MAPTTDP1LMNA
SCHEMBL9237113 0.81 ALDH3A1 (0.48) ALDH3A1MAPK1MAPTTDP1LMNA
SCHEMBL9237119 0.81 ALDH3A1 (0.48) ALDH3A1MAPK1MAPTTDP1LMNA
SCHEMBL9237129 0.81 ALDH3A1 (0.48) ALDH3A1MAPK1MAPTTDP1LMNA
SCHEMBL13433696 0.79 ALDH3A1 (0.40) ALDH3A1MAPK1MAPTTDP1LMNA
SCHEMBL5564324 0.75 SMN1; SMN2 (0.41) ALDH3A1MAPK1MAPTTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7686852-B2 Monoazo dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2010-03-30 — — US disclosed
US-20080028543-A1 Monoazo Dyes ARCHROMA IP GMBH (CH) 2008-02-07 — — US disclosed
EP-1765931-B1 MONOAZO DYES CLARIANT FINANCE BVI LTD (VG) 2007-12-05 — — EP 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-20080028543-A1 Monoazo Dyes IK, CYP3A43, TYR ALDH3A1 236/4885MAPK1 3255/4885MAPT 1374/4885

“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.

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