SCHEMBL429354

SCHEMBL429354

C=CCc1cccc2c1ccc1nnnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
PKM P14618 4/20 0.38
MAPT P10636 6/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 2/20 0.36
HIF1A Q16665 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 2/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.33
TSHR P16473 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
SCHEMBL429522 0.86 HPGD (0.33) ALDH1A1HPGDTSHR
SCHEMBL430718 0.76 L3MBTL1 (0.48) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL428070 0.69 KDM4E (0.41) L3MBTL1MEN1KMT2APKMMAPT
SCHEMBL427849 0.67 KDM4E (0.54) PKMMAPTNPSR1LMNATP53
SCHEMBL5831594 0.66 GABRA1 (0.56) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL31619949 0.66 GABRA1 (0.56) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL7836733 0.64 GABRA1 (0.39) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL3454178 0.64 GABRA1 (0.42) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL6449751 0.63 ALDH1A1 (0.37) L3MBTL1MEN1KMT2APKMMAPT
SCHEMBL428348 0.62 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2

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 GABRA1 19/4885GABRB2 34/4885L3MBTL1 698/4885

“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.