Sugi Predict

Sugi Predict / Compounds / SCHEMBL4005684

SCHEMBL4005684

SCHEMBL4005684

C[Si](C)(C)CCOCn1nc(CCc2ccccc2)c2cc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 12/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ SERPINE1 P05121 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL4007070 0.84 MEN1 (0.35) NR1I2KMT2AMEN1LMNACYP1A2
SCHEMBL4010743 0.79 NPC1 (0.40) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL3519003 0.77 CNR2 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1460653 0.73 AURKA (0.46) KMT2AMEN1
SCHEMBL29921411 0.70 NPC1 (0.37) KMT2AMEN1ALDH1A1NPC1
SCHEMBL22445978 0.69 CNR2 (0.44) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL23782907 0.69 PKM (0.43) NR1I2KMT2APKM
SCHEMBL31411386 0.68 DGAT1 (0.38) NPC1
SCHEMBL22445989 0.68 CNR2 (0.48) KMT2AMEN1LMNAMAPT
SCHEMBL1461082 0.66 BRD4 (0.42) KMT2AMEN1MAPT

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 NR1I2 2596/4885KMT2A 1089/4885MEN1 2247/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 NR1I2 2666/4885KMT2A 1222/4885MEN1 2443/4885

“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.