SCHEMBL994411

SCHEMBL994411

C=CCONC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
USP30 Q70CQ3 3/20 0.45
EPHX1 P07099 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HPGD P15428 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BRD4 O60885 1/20 0.40
PARP1 P09874 1/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
GLS O94925 2/20 0.39
BTK Q06187 1/20 0.39
ACKR3 P25106 1/20 0.38
ANO1 Q5XXA6 1/20 0.38

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
SCHEMBL9937183 0.82 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL1439214 0.82 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL1250472 0.82 ALDH1A1 (0.35) ALDH1A1MAPTCA1CA2
SCHEMBL17970096 0.81 ALDH1A1 (0.46) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL25472021 0.79 USP30 (0.53) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL8010277 0.79 MEN1 (0.49) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL20477490 0.79 MEN1 (0.49) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL25472053 0.79 USP30 (0.53) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL1420850 0.78 ALDH1A1 (0.51) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL12991276 0.78 ALDH1A1 (0.51) MEN1ALDH1A1MAPTKMT2AUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178554-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2012-05-15 US disclosed
US-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-06 US disclosed
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-09-01 US disclosed
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-01-27 US disclosed
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES NOVEXEL (FR) 2010-02-25 US disclosed
US-7612087-B2 Therapy for bacteria infections NOVEXEL (FR) 2009-11-03 US disclosed
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES AVENTIS PHARMA S.A. (FR) 2009-08-27 US disclosed
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases AVENTIS PHARMA S.A. (FR) 2005-01-27 US 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-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL MEN1 814/4885ALDH1A1 380/4885MAPT 3311/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA MEN1 434/4885ALDH1A1 2392/4885MAPT 3574/4885
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL MEN1 814/4885ALDH1A1 380/4885MAPT 3311/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL MEN1 814/4885ALDH1A1 380/4885MAPT 3311/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA MEN1 434/4885ALDH1A1 2392/4885MAPT 3574/4885
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL MEN1 814/4885ALDH1A1 380/4885MAPT 3311/4885

“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.