SCHEMBL223857

SCHEMBL223857

O=C1COc2ncccc2[N]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
ABL1 P00519 1/20 0.31
PLCG1 P19174 1/20 0.31
CES1 P23141 1/20 0.31
PAX8 Q06710 1/20 0.31
RIN1 Q13671 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
NCOA1 Q15788 1/20 0.30

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
SCHEMBL341904 0.71 KDM4E (0.47) GAA
SCHEMBL340262 0.70 MAOB (0.38) TDP2NSD2ABL1PLCG1CES1
SCHEMBL3294825 0.69 TDP1 (0.42) TDP2NSD2ABL1PLCG1CES1
Hydrochloric Acid SCHEMBL4505546 0.68 TDP1 (0.41) TDP2NSD2ABL1PLCG1CES1
SCHEMBL2067308 0.67 PDE3B (0.36) TDP2NSD2ABL1PLCG1CES1
SCHEMBL13028725 0.67 CA12 (0.36) CA12CA1CA2CA9TDP2
SCHEMBL279914 0.66 CYP11B1 (0.44) KMT2A
SCHEMBL29561576 0.66 CYP11B1 (0.44) KMT2A
SCHEMBL924458 0.65 ACHE (0.33) CA12CA1CA2CA9
SCHEMBL2035351 0.65 CA12 (0.31) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411365-B1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-03-19 EP claimed
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HUNZIKER DANIEL (CH) 2012-09-13 US claimed
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US claimed
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 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-1764098-A1 Diaminoalcohols 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
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP 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
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP 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
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO claimed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (5 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-20090012055-A1 Organic compounds REN, ACE, ACE2 CA12 3131/4885CA1 3183/4885CA2 294/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CA12 3131/4885CA1 3183/4885CA2 294/4885
US-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 CA12 3007/4885CA1 2880/4885CA2 298/4885
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R CA12 4850/4885CA1 4755/4885CA2 3263/4885
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R CA12 4852/4885CA1 4766/4885CA2 3275/4885

“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.