SCHEMBL5531336

SCHEMBL5531336

N#Cc1nn(Cc2ccccc2)c2c1CC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.36
CTSK P43235 1/20 0.35
IDO1 P14902 1/20 0.35
BCAT1 P54687 1/20 0.35
LMNA P02545 1/20 0.35
HTR7 P34969 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5529498 0.77 HPGD (0.46) TSHRMEN1KMT2AHTR2CHTR2B
SCHEMBL5531383 0.75 TSHR (0.39) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL5522025 0.75 TSHR (0.39) TSHRALDH1A1HPGDTDP1POLB
SCHEMBL14570519 0.75 TSHR (0.42) TSHRHTR2CALDH1A1HPGDTDP1
SCHEMBL5525718 0.75 CCNA2 (0.42) MEN1KMT2AHTR2CHTR2BALDH1A1
SCHEMBL5526763 0.71 TSHR (0.41) TSHRKMT2AALDH1A1HPGDTDP1
SCHEMBL5529721 0.71 TSHR (0.41) TSHRMEN1KMT2AHTR2CHTR2B
SCHEMBL5527466 0.69 ALDH1A1 (0.42) MEN1KMT2AHTR2CALDH1A1POLB
SCHEMBL13631512 0.69 CNR2 (0.46) TSHRHTR2CHTR2BALDH1A1HPGD
SCHEMBL4488829 0.69 CNR2 (0.46) TSHRHTR2CHTR2BALDH1A1HPGD

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 11 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-8637555-B2 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
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-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 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 TSHR 1547/4885MEN1 4578/4885KMT2A 4044/4885
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 TSHR 1547/4885MEN1 4578/4885KMT2A 4044/4885

“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.