SCHEMBL4008733

SCHEMBL4008733

NC(=O)c1n[nH]c2ccc(S(=O)(=O)Oc3ccc(Cl)c(Cl)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.46
▸ PRKAG1 P54619 6/20 0.38
▸ PRKAA1 Q13131 6/20 0.38
▸ PRKAB1 Q9Y478 6/20 0.38
▸ PRKAB2 O43741 5/20 0.38
▸ PRKAA2 P54646 5/20 0.38
▸ PRKAG3 Q9UGI9 5/20 0.38
▸ PRKAG2 Q9UGJ0 5/20 0.38
▸ CHEK2 O96017 6/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ BRAF P15056 1/20 0.35
▸ LGALS8 O00214 1/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ PAK1 Q13153 1/20 0.34

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
SCHEMBL4008113 0.96 APEX1 (0.49) APEX1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL4008006 0.86 YTHDC1 (0.45) APEX1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL4013654 0.84 APEX1 (0.50) APEX1LGALS8LGALS3
SCHEMBL4007111 0.83 APEX1 (0.52) APEX1LGALS8LGALS3KCNH2JAK2
SCHEMBL6556007 0.83 NTRK1 (0.39) APEX1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL4014969 0.83 FLT3 (0.51) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL4005400 0.82 APEX1 (0.46) APEX1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL4006545 0.81 APEX1 (0.50) APEX1LGALS8LGALS3KCNH2
SCHEMBL4008318 0.81 APEX1 (0.50) APEX1LGALS8LGALS3KCNH2JAK2
SCHEMBL4008126 0.81 NTRK1 (0.44) PRKAG1PRKAA1PRKAB1NTRK1BRAF

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 4 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
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 APEX1 2215/4885PRKAG1 333/4885PRKAA1 137/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 APEX1 2168/4885PRKAG1 271/4885PRKAA1 122/4885

“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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