SCHEMBL433128

SCHEMBL433128

C=CCc1cccc2nc(C(C(C)=O)C(=O)OC)ccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
PKM P14618 4/20 0.38
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 8/20 0.35
ALDH1A1 P00352 7/20 0.35
HSD17B10 Q99714 3/20 0.35
USP2 O75604 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL428015 0.80 KDM4E (0.42) MAPTMEN1PKMKMT2ANPSR1
SCHEMBL28524131 0.79 MEN1 (0.39) MAPTMEN1PKMKMT2ANPSR1
SCHEMBL426942 0.78 PTGS2 (0.42) MAPTMEN1PKMKMT2ANPSR1
SCHEMBL428174 0.76 ALDH1A1 (0.38) MAPTMEN1PKMKMT2ANPSR1
SCHEMBL425787 0.76 HSD17B10 (0.39) MAPTMEN1PKMKMT2ANPSR1
SCHEMBL10212024 0.73 MEN1 (0.40) MAPTMEN1PKMKMT2ANPSR1
SCHEMBL28524128 0.72 KDM4E (0.41) MAPTMEN1PKMKMT2ANPSR1
SCHEMBL8852131 0.70 MGAM (0.49) MAPTMEN1PKMKMT2ANPSR1
SCHEMBL3593287 0.70 ALDH1A1 (0.48) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL5262235 0.68 TDP1 (0.41) MAPTMEN1PKMKMT2ANPSR1

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 MAPT 1090/4885MEN1 4304/4885PKM 2001/4885

“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.