SCHEMBL6866260

SCHEMBL6866260

Cc1[nH]c2ccccc2c1CC(=O)NN

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
MAPT P10636 3/20 0.68
KDM4E B2RXH2 3/20 0.68
GAA P10253 1/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
PABPC1 P11940 1/20 0.56
ALOX15 P16050 1/20 0.56
HTT P42858 2/20 0.54
TSHR P16473 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53

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
SCHEMBL14303911 0.86 MAPT (0.69) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL14045866 0.84 KDM4E (0.58) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL30254999 0.83 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL3382621 0.83 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL27532905 0.83 PLA2G2A (0.55) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL24433140 0.82 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL15281758 0.81 MAPT (0.76) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL28092663 0.81 MAPT (0.76) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL379103 0.81 KDM4E (1.00) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL29612371 0.81 KDM4E (1.00) ALDH1A1MAPTKDM4EGAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1067986-C 1H-indole-3-acetic acid hydrazide spla2 inhibitors LILLY CO ELI (US) 2001-07-04 CN disclosed
CN-1098714-A The 1H-indole-3-acetic acid hydrazide spla 2 inhibitors LILLY CO ELI (US) 1995-02-15 CN 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 (1 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 ALDH1A1 278/4885MAPT 2520/4885KDM4E 1588/4885

“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.