SCHEMBL5525552

SCHEMBL5525552

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 1/20 0.43
GAA P10253 2/20 0.40
PKM P14618 2/20 0.40
TSHR P16473 2/20 0.40
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
PTGER4 P35408 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL5528723 0.89 CCNA2 (0.42) HPGDMEN1KMT2APOLBGRN
SCHEMBL5524286 0.84 CYP19A1 (0.52) HPGDMEN1KMT2APOLBTSHR
SCHEMBL5523901 0.82 MGLL (0.37) HPGDMEN1KMT2AGAAPKM
SCHEMBL5525300 0.78 HPGD (0.46) HPGDMEN1KMT2APOLBGAA
SCHEMBL5529721 0.75 TSHR (0.41) HPGDMEN1KMT2APOLBGAA
SCHEMBL182893 0.73 FABP4 (0.49) HPGDMEN1KMT2APOLBGAA
SCHEMBL300478 0.72 FABP4 (0.50) HPGDMEN1KMT2APOLBGAA
SCHEMBL5529498 0.72 HPGD (0.46) HPGDMEN1KMT2APOLBGAA
SCHEMBL19207620 0.71 POLB (0.61) HPGDMEN1KMT2APOLBGAA
SCHEMBL14598340 0.70 HPGD (0.47) HPGDMEN1KMT2APOLBGAA

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 805/4885MEN1 4578/4885KMT2A 4044/4885
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 HPGD 805/4885MEN1 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.