SCHEMBL925124

SCHEMBL925124

O=S1(=O)[C]CNc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
PLCG1 P19174 1/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
MMP2 P08253 2/20 0.35
KEAP1 Q14145 1/20 0.34
MMP9 P14780 1/20 0.33
ADAM17 P78536 1/20 0.33
GPR3 P46089 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7352122 0.80 MEN1 (0.41) KMT2AMEN1NOX1PLCG1CA12
SCHEMBL255959 0.70 PLCG1 (0.52) KMT2AMEN1NOX1PLCG1CA12
SCHEMBL30914644 0.70 PLCG1 (0.52) KMT2AMEN1NOX1PLCG1CA12
SCHEMBL29437615 0.68 KMT2A (0.45) KMT2AMEN1NOX1PLCG1CA12
SCHEMBL1542901 0.68 KMT2A (0.45) KMT2AMEN1NOX1PLCG1CA12
SCHEMBL29437613 0.68 KMT2A (0.45) KMT2AMEN1NOX1PLCG1CA12
SCHEMBL7348045 0.68 PNMT (0.36) KMT2AMEN1NOX1PLCG1CA12
SCHEMBL9131421 0.67 KMT2A (0.48) KMT2AMEN1NOX1PLCG1CA12
SCHEMBL5848805 0.67 KEAP1 (0.50) KMT2AMEN1NOX1PLCG1CA12
SCHEMBL88679 0.67 PLCG1 (0.48) KMT2AMEN1NOX1PLCG1CA12

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US claimed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US claimed
EP-2163245-A1 Renin inhibitors for the treatment of psoriasis Novartis Ag (CH) 2010-03-17 EP claimed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US claimed
US-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension NOVARTIS AG (CH) 2008-11-13 US claimed
EP-1987834-A2 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2008-11-05 EP claimed
WO-2008128832-A1 NITRODERIVATIVES OF NON-PEPTIDIC RENIN INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR, RENAL AND CHRONIC LIVER DISEASE, INFLAMMATIONS AND METABOLIC SYNDROME NICOX S.A. (FR) 2008-10-30 WO claimed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP claimed
US-20080076766-A1 Piperidine Derivatives As Renin Inhibitor SPEEDEL EXPERIMENTA AG (CH) 2008-03-27 US claimed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US claimed
US-20070066582-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US claimed
US-20070066604-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US claimed
EP-1764098-A1 Diaminoalcohols derivatives for the treatment of Alzheimer, malaria, HIV Speedel Experimenta AG (CH) 2007-03-21 EP claimed
EP-1764099-A2 Diaminoalcohol derivatives for the treatment of Alzheimer, malaria, HIV Speedel Experimenta AG (CH) 2007-03-21 EP claimed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US claimed
WO-2006103273-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO claimed
EP-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP claimed
EP-1699762-A1 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-09-13 EP claimed
WO-2006005741-A2 PIPERDINE DERIVATIVES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-01-19 WO claimed
WO-2005090305-A1 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20080076766-A1 Piperidine Derivatives As Renin Inhibitor REN, AGTR1, ACE KMT2A 3556/4885MEN1 2165/4885NOX1 1933/4885
US-20090012055-A1 Organic compounds REN, ACE, ACE2 KMT2A 3839/4885MEN1 2817/4885NOX1 1177/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 KMT2A 3839/4885MEN1 2817/4885NOX1 1177/4885
US-20070066604-A1 Diaminoalcohols as therapeutic compounds CTSD, FURIN, CTSL KMT2A 3100/4885MEN1 1934/4885NOX1 1718/4885
US-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 KMT2A 2127/4885MEN1 1485/4885NOX1 415/4885
US-20070066582-A1 Diaminoalcohols as therapeutic compounds CTSD, CTSL, CTSC KMT2A 3003/4885MEN1 2326/4885NOX1 1812/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C KMT2A 3647/4885MEN1 1572/4885NOX1 861/4885

“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.