SCHEMBL429081

SCHEMBL429081

C=CCc1cccc2c1OCC(=S)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
AKR1B1 P15121 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
THRB P10828 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
SCHEMBL426861 0.82 SMYD3 (0.43) GABRA1GABRB2
SCHEMBL429057 0.79 GABRA1 (0.36) GABRA1GABRB2CYP3A4CYP1A2MAPT
SCHEMBL429058 0.79 GABRA1 (0.36) GABRA1GABRB2CYP3A4CYP1A2MAPT
SCHEMBL430954 0.73 GABRA1 (0.38) GABRA1GABRB2CYP3A4CYP1A2MAPT
SCHEMBL5262467 0.72 KDM4E (0.32) GABRA1GABRB2MAPTKDM4ELMNA
SCHEMBL5262471 0.72 KDM4E (0.32) GABRA1GABRB2MAPTKDM4ELMNA
SCHEMBL5262461 0.72 KDM4E (0.32) GABRA1GABRB2MAPTKDM4ELMNA
SCHEMBL4182404 0.69 SMYD3 (0.43) MAPT
SCHEMBL4960174 0.65 MTNR1A (0.49) GABRA1GABRB2CYP3A4CYP1A2MAPT
SCHEMBL88718 0.63 MEN1 (0.50) MAPTKDM4EGAAHPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 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 (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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE GABRA1 19/4885GABRB2 34/4885CYP3A4 561/4885

“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.