SCHEMBL6868130

SCHEMBL6868130

CCN(CC)C(=O)C(=O)NN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.37
CTSD P07339 1/20 0.37
CYP1A2 P05177 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH2 P05091 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10778535 0.81 CA2 (0.43) SMN1; SMN2ALDH1A1HTTLMNACTSD
SCHEMBL7170663 0.78 CTSD (0.36) ALDH1A1CTSDKDM4E
SCHEMBL13431198 0.78 ALDH1A1 (0.39) RAB9ASMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL6142485 0.74
SCHEMBL2378099 0.71 MMP1 (0.40) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL10783525 0.70
SCHEMBL4157715 0.70 LMNA (0.42) RAB9ASMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL5349924 0.69
SCHEMBL15821650 0.68 LMNA (0.36) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
Hydrochloric Acid SCHEMBL5035419 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4578479-A Process for preparing 1,2,4-triazole-3-carboxamides UBE INDUSTRIES, LTD. (JP) 1986-03-25 US claimed
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
EP-0126326-B1 PROCESS FOR PREPARING 1,2,4-TRIAZOLE-3-CARBOXAMIDES UBE INDUSTRIES, LTD. (JP) 1987-08-05 EP disclosed
US-4578479-A Process for preparing 1,2,4-triazole-3-carboxamides UBE INDUSTRIES, LTD. (JP) 1986-03-25 US disclosed
EP-0126326-A1 Process for preparing 1,2,4-triazole-3-carboxamides UBE INDUSTRIES, LTD. (JP) 1984-11-28 EP 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 RAB9A 1877/4885SMN1; SMN2 2670/4885ALDH1A1 278/4885

“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.