SCHEMBL4674145

SCHEMBL4674145

O=C(O)CCc1nc(CCl)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
MCL1 Q07820 1/20 0.49
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.44
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
RXRA P19793 6/20 0.37
RXRB P28702 6/20 0.37
RXRG P48443 4/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ABCC4 O15439 1/20 0.36
C5 P01031 1/20 0.36
CHRM2 P08172 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
SCHEMBL6334785 0.80 MIF (0.39) TSHRMCL1LMNAATMALDH1A1
SCHEMBL18342607 0.77 TSHR (0.43) TSHRMCL1LMNAATMMITF
SCHEMBL7955708 0.77 PPARA (0.46) TSHRMCL1LMNAATMMITF
SCHEMBL563400 0.76 TSHR (0.51) TSHRMCL1LMNAATMALDH1A1
SCHEMBL10640994 0.76 ALDH1A1 (0.47) TSHRMCL1LMNAATMALDH1A1
SCHEMBL29115321 0.74 LMNA (0.50) TSHRMCL1LMNAATMMITF
SCHEMBL7317347 0.73 SMPD1 (0.32) KDM4E
SCHEMBL6334783 0.71 RXRA (0.40) LMNARXRAITGB3ITGAVITGA2B
SCHEMBL7945098 0.70 LMNA (0.65) TSHRLMNAATMMITFTP53
SCHEMBL28001742 0.69 SMPD1 (0.33) CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100491323-C Biaryloxymethylarenecarboxylic acids compound HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
CN-1812956-A Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN LA ROCHE (CH) 2006-08-02 CN disclosed
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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 (1 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 TSHR 4656/4885MCL1 379/4885LMNA 448/4885

“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.