SCHEMBL429757

SCHEMBL429757

C=CCc1cccc2c1OCc1c(C(=O)OCC)nnn1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C9 P11712 2/20 0.41
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SLC5A1 P13866 3/20 0.38
SLC5A2 P31639 3/20 0.38
HPGD P15428 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL429586 0.92 TP53 (0.43) TP53ALOX12CYP2C9HTR1AHTR1D
SCHEMBL430212 0.82 HTR1A (0.57) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL428067 0.82 TP53 (0.43) TP53ALOX12CYP2C9KDM4EHSD17B10
SCHEMBL432474 0.81 HTR1A (0.51) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL426964 0.75 HTR1A (0.58) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL426969 0.75 TP53 (0.44) TP53ALOX12CYP2C9SLC5A1SLC5A2
SCHEMBL429251 0.73 HTR1A (0.52) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL430577 0.71 HTR1A (0.60) CYP2C9HTR1AHTR1DHTR1BSLC6A4
Hydrochloric Acid SCHEMBL431346 0.71 HTR1A (0.60) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL7452701 0.70 LMNA (0.46) TP53ALOX12SLC5A1SLC5A2CYP1A2

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 5 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
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
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 TP53 2719/4885ALOX12 4300/4885CYP2C9 1185/4885

“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.