SCHEMBL6869867

SCHEMBL6869867

CN(C)c1ccc(CC(=O)NN)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.64
HDAC1 Q13547 2/20 0.58
AOC2 O75106 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 1/20 0.54
CNR2 P34972 1/20 0.53
GLS O94925 2/20 0.49
HDAC6 Q9UBN7 1/20 0.47
CACNA1G O43497 4/20 0.47
CACNA1H O95180 4/20 0.47
CACNA1I Q9P0X4 4/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL1433073 0.95 AOC3 (0.72) AOC3HDAC1AOC2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1433175 0.93 AOC3 (0.70) AOC3HDAC1AOC2ALDH1A1KMT2A
SCHEMBL11796135 0.84 AOC2 (0.66) AOC3AOC2KMT2AHDAC6CYP3A4
SCHEMBL2568451 0.83 HDAC1 (0.59) HDAC1ALDH1A1KMT2ACNR2GLS
SCHEMBL2568449 0.81 HDAC1 (0.58) HDAC1ALDH1A1KMT2ACNR2GLS
SCHEMBL2069303 0.80 AOC3 (0.76) AOC3AOC2
SCHEMBL1432666 0.80 AOC3 (0.58) AOC3HDAC1AOC2ALDH1A1KMT2A
Tert-Butyl Formate SCHEMBL27829411 0.80 AOC3 (0.45) AOC3HDAC1AOC2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1432865 0.79 AOC3 (0.74) AOC3AOC2
Hydrochloric Acid SCHEMBL1432815 0.79 AOC3 (0.57) AOC3HDAC1AOC2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845323-B2 2-(1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1 ]octane derivatives and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-12-19 US disclosed
US-9845323-B2 2-(1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1 ]octane derivatives and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-12-19 US disclosed
US-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed
US-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-12-08 US disclosed
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-12-08 US disclosed
US-20160297816-A1 2-(1,3,4-OXADIAZOL-2-YL)-7-OXO-1,6-DIAZABICYCLO[3.2.1 ]OCTANE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-10-13 US disclosed
US-20160297816-A1 2-(1,3,4-OXADIAZOL-2-YL)-7-OXO-1,6-DIAZABICYCLO[3.2.1 ]OCTANE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-10-13 US disclosed
CN-1191255-C Benzodiazepine derivatives as GABA A receptor modulators HOFFMANN LA ROCHE (CH) 2005-03-02 CN disclosed
EP-1337535-B1 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-06-09 EP disclosed
US-6743789-B2 SUBSTITUTED IMIDAZO (1,5-A) (1,2,4) TRIAZOLO (4,3-D) (1,4) BENZODIAZEPINE DERIVATIVES ARE USEFUL FOR TREATING ALZHEIMER'S DISEASE; REACTING A BEZODIAZEPINE DERIVATIVE WITH A HYDRAZIDE DERIVATIVE TO FORM END PRODUCT HOFFMANN-LA ROCHE INC. 2004-06-01 US disclosed
CN-1474820-A Benzodiazepine derivatives as GABA A receptor modulators - 2004-02-11 CN disclosed
EP-1337535-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-27 EP disclosed
US-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002040487-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 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 (3 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-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 AOC3 2063/4885HDAC1 2095/4885AOC2 2725/4885
US-20160297816-A1 2-(1,3,4-OXADIAZOL-2-YL)-7-OXO-1,6-DIAZABICYCLO[3.2.1 ]OCTANE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ODC1, OXA1L, CASP7 AOC3 29/4885HDAC1 533/4885AOC2 25/4885
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NOS2, NOS1, NCF1 AOC3 1048/4885HDAC1 3080/4885AOC2 1464/4885

“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.