SCHEMBL1460664

SCHEMBL1460664

CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ AURKA O14965 5/20 0.53
▸ AURKB Q96GD4 3/20 0.53
▸ LRRK2 Q5S007 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ITK Q08881 2/20 0.47
▸ PKM P14618 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ MAPK3 P27361 1/20 0.43
▸ NTRK1 P04629 1/20 0.42
▸ TTK P33981 2/20 0.42
▸ MAP2K4 P45985 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ MCL1 Q07820 1/20 0.41

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
SCHEMBL1459719 0.90 AURKA (0.53) MAPTHPGDAURKAAURKBLRRK2
SCHEMBL1461867 0.89 MAPK1 (0.51) AURKAAURKBLRRK2MAPK1ITK
SCHEMBL1460842 0.87 MAPK1 (0.52) AURKAAURKBMAPK1ITKMAPK3
SCHEMBL1460552 0.87 MAPK1 (0.54) AURKAAURKBMAPK1ITKMAPK3
SCHEMBL1461810 0.86 ITK (0.57) MAPTHPGDAURKAAURKBLRRK2
SCHEMBL1460609 0.85 MAPK1 (0.50) AURKAAURKBMAPK1ITKMAPK3
SCHEMBL1460991 0.85 MAPK1 (0.50) AURKAAURKBMAPK1ITKMAPK3
SCHEMBL1461860 0.85 MAPK1 (0.50) AURKAAURKBMAPK1ITKMAPK3
SCHEMBL1460710 0.85 MAPK1 (0.50) MAPTHPGDAURKAAURKBMAPK1
SCHEMBL1460573 0.85 ITK (0.54) MAPTAURKAAURKBMAPK1ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4643910-B2 — — 2011-03-02 — — JP claimed
JP-2005533004-A — — 2005-11-04 — — JP claimed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US claimed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 — — EP claimed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US claimed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — WO claimed
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 MAPT 2426/4885HPGD 1246/4885AURKA 17/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 MAPT 3070/4885HPGD 1303/4885AURKA 65/4885

“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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