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Sugi Predict / Compounds / SCHEMBL345203

SCHEMBL345203

SCHEMBL345203

NC(=O)c1cc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)on1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.49
▸ BCL9 O00512 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HGFAC Q04756 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ MGLL Q99685 1/20 0.37

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
SCHEMBL2332185 0.89 HTR2A (0.50) HTR2ABCL9CTNNB1SMN1; SMN2KMT2A
SCHEMBL345758 0.85 HTR2A (0.49) HTR2ABCL9CTNNB1SMN1; SMN2ALDH1A1
SCHEMBL344774 0.85 HTR2A (0.49) HTR2ABCL9CTNNB1SMN1; SMN2KMT2A
SCHEMBL15919278 0.80 HTR2A (0.46) HTR2ABCL9CTNNB1SMN1; SMN2KMT2A
SCHEMBL7094532 0.78 HTR2A (0.53) HTR2ABCL9CTNNB1SMN1; SMN2KMT2A
SCHEMBL7096139 0.77 HTR2A (0.52) HTR2ABCL9CTNNB1SMN1; SMN2KMT2A
SCHEMBL7514939 0.74 HTR2A (0.54) HTR2ABCL9CTNNB1SMN1; SMN2KMT2A
SCHEMBL5827968 0.74 HTR2A (0.80) HTR2ABCL9CTNNB1ALDH1A1GAA
SCHEMBL25187205 0.74 HTR2A (0.70) HTR2ABCL9CTNNB1SMN1; SMN2KMT2A
SCHEMBL32691084 0.74 HTR2A (0.54) HTR2ABCL9CTNNB1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000010-B2 Alkyl-heterocycle carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2015-04-07 — — US disclosed
US-8889702-B2 Derivatives of azaspiranyl-alkylcarbamates of 5-member heterocyclic compounds, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-11-18 — — US disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 — — US disclosed
US-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 — — US disclosed
EP-2526100-B1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2013-12-04 — — EP disclosed
US-20130211087-A1 7-AZA-SPIRO[3,5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-08-15 — — US disclosed
US-8394787-B2 7-aza-spiro[3.5]nonane-7-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 — — US disclosed
US-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-11-22 — — US disclosed
US-20120129830-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-24 — — US disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 — — US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 — — US disclosed
US-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 — — US disclosed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 — — 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 (6 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-20130211087-A1 7-AZA-SPIRO[3,5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FAAH, FAAH2, ASAH1 HTR2A 2257/4885BCL9 1993/4885CTNNB1 2723/4885
US-20120129830-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF HDAC7, NR3C2, EPOR HTR2A 4556/4885BCL9 43/4885CTNNB1 2476/4885
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A HTR2A 4211/4885BCL9 524/4885CTNNB1 3609/4885
US-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT9, IDH3B, DHFR HTR2A 4240/4885BCL9 51/4885CTNNB1 3504/4885
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 HTR2A 4454/4885BCL9 24/4885CTNNB1 3895/4885
US-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION PRMT9, PRMT8, CBR1 HTR2A 3470/4885BCL9 23/4885CTNNB1 3530/4885

“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.