SCHEMBL5531389

SCHEMBL5531389

N#Cc1nn(Cc2ccccc2)c2c1CC(C1=CCCC1)=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
THRB P10828 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADORA1 P30542 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HTT P42858 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
SCHEMBL5527555 0.82 TSHR (0.35) TSHRKMT2AMEN1ALDH1A1HPGD
SCHEMBL5526767 0.75 MEN1 (0.35) KMT2AMEN1ALDH1A1HTR2CHTR2B
SCHEMBL5519947 0.74 ALDH1A1 (0.38) TSHRKMT2AMEN1ALDH1A1HPGD
SCHEMBL5523021 0.73 TSHR (0.38) TSHRALDH1A1HPGDTDP1KDM4E
SCHEMBL5529721 0.70 TSHR (0.41) TSHRKMT2AMEN1ALDH1A1HPGD
SCHEMBL5530279 0.70 CTSK (0.34) TSHRALDH1A1HPGDTDP1
SCHEMBL5531336 0.67 TSHR (0.40) TSHRKMT2AMEN1ALDH1A1HPGD
SCHEMBL14570520 0.65 TSHR (0.39) TSHRKMT2AMEN1ALDH1A1HPGD
SCHEMBL4435378 0.65 CNR1 (0.54) TSHRKMT2AMEN1ALDH1A1HPGD
SCHEMBL14597505 0.64 TSHR (0.42) TSHRKMT2AMEN1ALDH1A1HPGD

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 TSHR 1547/4885KMT2A 4044/4885MEN1 4578/4885
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 TSHR 1547/4885KMT2A 4044/4885MEN1 4578/4885

“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.