SCHEMBL4250722

SCHEMBL4250722

CCCCCN1C=CN=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
CES1 P23141 2/20 0.36
CDC25A P30304 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL11020384 0.86 SIGMAR1 (0.39) SLC9A1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11389444 0.82 MAPT (0.33) SLC9A1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1649060 0.76 TSHR (0.38) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL11709141 0.76 LMNA (0.31) MAPK1LMNA
SCHEMBL9527213 0.76 LMNA (0.31) MAPK1LMNA
SCHEMBL1989267 0.75 MEN1 (0.42) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL4908709 0.73 P2RX4 (0.31) CES1
SCHEMBL3523519 0.73 LMNA (0.39) SLC9A1MAPTALDH1A1ALDH2ALDH3A1
SCHEMBL11276030 0.72 MAOB (0.34) MEN1KMT2A
SCHEMBL11868744 0.72 MAPT (0.38) MEN1KMT2AMAPTTHRBMAPK1

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 SLC9A1 2088/4885MEN1 1645/4885KMT2A 1482/4885
US-20080070904-A1 Pharmaceutical compositions of benzodiazepines and method of use thereof GABRA5, GABBR1, GABRA6 SLC9A1 1484/4885MEN1 1365/4885KMT2A 1914/4885

“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.