SCHEMBL1250772

SCHEMBL1250772

Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.62
▸ GAA P10253 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ PKM P14618 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.56
▸ DNMT1 P26358 1/20 0.55
▸ DNMT3A Q9Y6K1 1/20 0.55
▸ IDH1 O75874 1/20 0.55
▸ PKLR P30613 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ HSPD1 P10809 2/20 0.53
▸ PTPN2 P17706 2/20 0.53
▸ PTPN1 P18031 2/20 0.53
▸ PTPN5 P54829 2/20 0.53
▸ HSPE1 P61604 2/20 0.53

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
SCHEMBL7571637 0.90 ALDH1A1 (0.62) VCAM1GAASMN1; SMN2PKMALDH1A1
SCHEMBL7580299 0.89 ALDH1A1 (0.68) GAASMN1; SMN2PKMALDH1A1PKLR
SCHEMBL5225915 0.86 VCAM1 (0.64) VCAM1ALDH1A1DNMT1DNMT3ALMNA
SCHEMBL1251538 0.84 FFAR4 (0.66) GAASMN1; SMN2PKMALDH1A1PKLR
SCHEMBL5228187 0.83 VCAM1 (0.64) VCAM1SMN1; SMN2DNMT1DNMT3AIDH1
SCHEMBL7571503 0.83 PKM (0.67) GAASMN1; SMN2PKMALDH1A1PKLR
SCHEMBL11752812 0.83 VCAM1 (0.60) VCAM1GAASMN1; SMN2ALDH1A1DNMT1
SCHEMBL810667 0.81 MAPT (0.64) VCAM1PKMALDH1A1DNMT1DNMT3A
SCHEMBL27809726 0.81 VCAM1 (0.61) VCAM1GAAPKMALDH1A1DNMT1
SCHEMBL5227535 0.81 ALDH1A1 (0.69) SMN1; SMN2PKMALDH1A1IDH1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 — — US disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — 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 (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-20110046133-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 VCAM1 2635/4885GAA 74/4885SMN1; SMN2 1801/4885

“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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