SCHEMBL4250724

SCHEMBL4250724

CCCCCC1=CN=Cc2ccccc2N1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KCNH2 Q12809 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CETP P11597 1/20 0.31
TLR8 Q9NR97 1/20 0.31
HSD11B1 P28845 1/20 0.31
GPR3 P46089 1/20 0.30

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
SCHEMBL11389449 0.82 GAA (0.38) GAAMAPT
SCHEMBL9540291 0.82 HRH4 (0.38) GAAMEN1KMT2A
SCHEMBL28831505 0.80 GAA (0.39) GAAMAPTTDP1
SCHEMBL9789197 0.76 GAA (0.38) GAAMAPT
SCHEMBL9527218 0.76 GAA (0.38) GAAMAPT
Hydrochloric Acid SCHEMBL8805169 0.74 GAA (0.36) GAAMAPT
SCHEMBL1246857 0.74 GAA (0.46) GAAMAPTKCNH2LIPGGPR84
SCHEMBL11145199 0.72 GAA (0.30) GAAMAPT
SCHEMBL10670086 0.70 TRPV1 (0.36) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL6615020 0.70 GAA (0.41) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716279-B2 Pharmaceutical compositions of clonazepam and method of use thereof Jazz Pharmaceuticals, Inc. (US) 2014-05-06 US disclosed
US-8609651-B2 Pharmaceutical compositions of benzodiazepines and method of use thereof Jazz Pharmaceuticals, Inc. (US) 2013-12-17 US disclosed
EP-2056877-A2 PHARMACEUTICAL COMPOSITIONS OF BENZODIAZEPINES AND METHODS OF USE THEREOF Jazz Pharmaceuticals Inc. (US) 2009-05-13 EP disclosed
US-20080076761-A1 Pharmaceutical compositions of clonazepam and method of use thereof JAZZ PHARMACEUTICALS (US) 2008-03-27 US disclosed
US-20080070904-A1 Pharmaceutical compositions of benzodiazepines and method of use thereof JAZZ PHARMACEUTICALS (US) 2008-03-20 US disclosed
WO-2008027395-A2 PHARMACEUTICAL COMPOSITIONS OF BENZODIAZEPINES AND METHODS OF USE THEREOF Jazz Pharmaceuticals, Inc. (US) 2008-03-06 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 (2 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-20080076761-A1 Pharmaceutical compositions of clonazepam and method of use thereof GABBR1, GABRA5, GABBR2 GAA 1651/4885MAPT 1654/4885KCNH2 111/4885
US-20080070904-A1 Pharmaceutical compositions of benzodiazepines and method of use thereof GABRA5, GABBR1, GABRA6 GAA 1373/4885MAPT 1919/4885KCNH2 178/4885

“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.