SCHEMBL5523901

SCHEMBL5523901

O=C(ON1C(=O)CCC1=O)c1nn(Cc2ccccc2)c2c1CC=C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP1A2 P05177 1/20 0.35
RIPK1 Q13546 1/20 0.34
CYP19A1 P11511 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 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
SCHEMBL5531830 0.84 MGLL (0.37) MGLLALDH1A1LMNANPSR1MAPK1
SCHEMBL5525552 0.82 HPGD (0.46) ALDH1A1LMNANPSR1HPGDMEN1
SCHEMBL5524286 0.82 CYP19A1 (0.52) ALDH1A1LMNAMAPK1HPGDMEN1
SCHEMBL5525083 0.80 MGLL (0.39) MGLLALDH1A1LMNANPSR1MAPK1
SCHEMBL5528723 0.80 CCNA2 (0.42) ALDH1A1LMNANPSR1MAPK1HPGD
SCHEMBL14597181 0.79 MGLL (0.41) MGLLALDH1A1LMNANPSR1MAPK1
SCHEMBL5525300 0.67 HPGD (0.46) ALDH1A1LMNANPSR1MAPK1HPGD
SCHEMBL30736715 0.66 RIPK1 (0.47) MGLLRIPK1
SCHEMBL5523927 0.65 HPGD (0.41) ALDH1A1LMNANPSR1MAPK1HPGD
SCHEMBL10041303 0.65 LMNA (0.47) MGLLALDH1A1LMNAMAPK1HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637555-B2 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2006-09-28 US disclosed
EP-1683794-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof Arena Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
EP-1599469-B1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARM INC (US) 2006-06-07 EP disclosed
EP-1599469-A1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2005-11-30 EP disclosed
WO-2005044816-A1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-05-19 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-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 MGLL 385/4885ALDH1A1 681/4885LMNA 2748/4885
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 MGLL 385/4885ALDH1A1 681/4885LMNA 2748/4885

“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.