SCHEMBL431328

SCHEMBL431328

C=CCc1cccc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP19A1 P11511 1/20 0.45
TBXAS1 P24557 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL7212101 0.87 LOXL2 (0.58) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL27536668 0.83 MAPT (0.50) MAPTKDM4ECYP19A1TBXAS1MEN1
SCHEMBL29954736 0.81 MAPT (0.48) MAPTKDM4ECYP19A1TBXAS1MEN1
SCHEMBL6878679 0.81 MAPT (0.48) MAPTKDM4ECYP19A1TBXAS1MEN1
SCHEMBL28879860 0.81 MAPT (0.48) MAPTKDM4ECYP19A1TBXAS1MEN1
SCHEMBL5583935 0.80 MEN1 (0.49) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL5831594 0.80 GABRA1 (0.56) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL31619949 0.80 GABRA1 (0.56) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL27594426 0.79 MAPT (0.45) MAPTKDM4ECYP19A1TBXAS1MEN1
SCHEMBL3817705 0.79 MAPT (0.54) MAPTKDM4ECYP19A1TBXAS1MEN1

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 9 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
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 US disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 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 (2 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS MAPT 268/4885KDM4E 1557/4885CYP19A1 1657/4885
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE MAPT 1090/4885KDM4E 3168/4885CYP19A1 31/4885

“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.