SCHEMBL429986

SCHEMBL429986

C=CCc1c(C)ccc2nc(C(N)C(=O)OCC)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.33
MAPK1 P28482 2/20 0.33
F2 P00734 1/20 0.32
PRNP P04156 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
ELANE P08246 1/20 0.31
GAA P10253 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL10212044 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1LMNAMAPT
SCHEMBL428015 0.82 KDM4E (0.42) ALDH1A1L3MBTL1MAPK1PRNPLMNA
SCHEMBL5263541 0.76 ALDH1A1 (0.35) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL5263549 0.76 ALDH1A1 (0.35) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL429019 0.70 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL429018 0.70 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL425787 0.67 HSD17B10 (0.39) ALDH1A1L3MBTL1MAPK1PRNPLMNA
SCHEMBL26693687 0.66 HTT (0.38) ALDH1A1MAPK1LMNAMAPTKDM4E
Hydrochloric Acid SCHEMBL26694282 0.65 PIN1 (0.39) ALDH1A1MAPK1MAPTPOLBMEN1
SCHEMBL26693589 0.64 MAPT (0.35) ALDH1A1LMNAMAPTKDM4EPOLB

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 ALDH1A1 257/4885L3MBTL1 698/4885MAPK1 3976/4885

“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.