SCHEMBL4004253

SCHEMBL4004253

CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccccc3[N+](=O)[O-])c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.48
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ITK Q08881 2/20 0.46
▸ PKM P14618 1/20 0.43
▸ AURKA O14965 2/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSPD1 P10809 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ HSPE1 P61604 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL1460664 0.85 MAPT (0.54) LRRK2GAASMN1; SMN2ITKPKM
SCHEMBL1461707 0.85 ITK (0.52) LRRK2ITKAURKAAURKBMAPK1
SCHEMBL1461074 0.84 BRD4 (0.50) ITKAURKAAURKBMAPK1MEN1
SCHEMBL1461732 0.84 AURKA (0.48) ITKAURKAAURKBMAPK1NTRK1
SCHEMBL1459787 0.84 ITK (0.58) ITKAURKAMAPK1NTRK1
SCHEMBL1460595 0.84 ITK (0.48) ITKAURKAAURKBMAPK1NTRK1
SCHEMBL1459719 0.83 AURKA (0.53) LRRK2ITKAURKAAURKBMAPT
SCHEMBL6300130 0.83 ITK (0.48) ITKAURKAAURKBMAPK1NTRK1
SCHEMBL1461015 0.83 ITK (0.50) ITKAURKAAURKBMAPK1
SCHEMBL1460649 0.83 LRRK2 (0.58) LRRK2GAASMN1; SMN2ITKPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 — — US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 — — EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — WO 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 LRRK2 527/4885GAA 2692/4885SMN1; SMN2 4557/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 LRRK2 671/4885GAA 2476/4885SMN1; SMN2 4481/4885

“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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