SCHEMBL428166

SCHEMBL428166

C=CCc1cccc2c1OCc1noc(=O)n1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
NPR1 P16066 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR1A P08908 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
SLC6A4 P31645 2/20 0.32
KCNH2 Q12809 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
NMT1 P30419 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL430475 0.89 TP53 (0.45) TP53CYP1A2CYP3A4PKMNPR1
SCHEMBL430548 0.81 THRB (0.38) CYP1A2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL429434 0.81 HTR1A (0.32) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL426904 0.78 HTR1A (0.50) CYP1A2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL429305 0.73 HTR1A (0.48) CYP1A2CYP3A4HTR1AHTR1DHTR1B
SCHEMBL425805 0.73 HTR1A (0.48) CYP1A2CYP3A4HTR1AHTR1DHTR1B
SCHEMBL429407 0.72 HTR1A (0.52) CYP1A2CYP3A4PKMHTR1AHTR1D
SCHEMBL428855 0.71 ALOX12 (0.39) TP53TSHRHTR1AHTR1DHTR1B
SCHEMBL431052 0.69 THRB (0.39) CYP1A2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL5261908 0.69 TSHR (0.45) TSHRHTR1AHTR1DHTR1BSLC6A4

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 TP53 2719/4885CYP1A2 139/4885CYP3A4 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.