SCHEMBL5523927

SCHEMBL5523927

NC(=O)c1nn(Cc2ccccc2)c2c1C=CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 3/20 0.37
EGLN1 Q9GZT9 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
GRN P28799 1/20 0.36

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
SCHEMBL5525300 0.89 HPGD (0.46) HPGDCYP1A2SMN1; SMN2MAPK1POLB
SCHEMBL5522868 0.83 CYP19A1 (0.53) HPGDSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL5531830 0.80 MGLL (0.37) HPGDCYP1A2SMN1; SMN2MAPK1POLB
SCHEMBL5528723 0.79 CCNA2 (0.42) HPGDCYP1A2SMN1; SMN2MAPK1POLB
SCHEMBL5079503 0.75 CCNA2 (0.47) HPGDSMN1; SMN2POLBCCNA2CDK2
SCHEMBL5525718 0.74 CCNA2 (0.42) HPGDCYP1A2SMN1; SMN2POLBCCNA2
SCHEMBL5526763 0.73 TSHR (0.41) HPGDPOLBKMT2AALDH1A1LMNA
SCHEMBL14597506 0.72 HPGD (0.42) HPGDCYP1A2SMN1; SMN2MAPK1POLB
SCHEMBL31706984 0.71 HTR7 (0.58) CCNA2CDK2CCNA1
SCHEMBL3775553 0.71 PTGER4 (0.60) HPGDCYP1A2SMN1; SMN2MAPK1PARP1

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-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

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 HPGD 805/4885CYP1A2 219/4885SMN1; SMN2 4195/4885
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 HPGD 805/4885CYP1A2 219/4885SMN1; SMN2 4195/4885

“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.