SCHEMBL5030729

SCHEMBL5030729

COc1ccc(CC(=O)Nc2ccc(-c3cc(-c4ncco4)ccc3C)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
HPGD P15428 7/20 0.56
KDM4E B2RXH2 7/20 0.56
MAPT P10636 6/20 0.56
NPSR1 Q6W5P4 5/20 0.56
HSD17B10 Q99714 5/20 0.56
POLB P06746 2/20 0.56
RXFP1 Q9HBX9 2/20 0.56
EPHX2 P34913 1/20 0.56
SMN1; SMN2 Q16637 7/20 0.52
LMNA P02545 7/20 0.52
MAPK1 P28482 4/20 0.52
TSHR P16473 3/20 0.52
USP2 O75604 3/20 0.52
TP53 P04637 2/20 0.52
FBP1 P09467 2/20 0.52
KMT2A Q03164 4/20 0.51
HTT P42858 2/20 0.51
XBP1 P17861 1/20 0.51
HTR1E P28566 1/20 0.51

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
SCHEMBL5033031 0.89 KMT2A (0.56) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL5028493 0.86 SMN1; SMN2 (0.50) HPGDKDM4EHSD17B10SMN1; SMN2KMT2A
SCHEMBL5032997 0.86 BRAF (0.52) MAPTNPSR1HSD17B10POLBLMNA
SCHEMBL5031524 0.85 WNT3A (0.47) HPGDKDM4EMAPTNPSR1HSD17B10
SCHEMBL5031527 0.85 GAA (0.51) ALDH1A1HPGDKDM4EMAPTRXFP1
SCHEMBL8232855 0.85 WNT3A (0.47) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL5028443 0.85 HPGD (0.51) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL5031517 0.84 WNT3A (0.54) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL5030708 0.82 IL2 (0.49) KDM4EMAPTHSD17B10KMT2AMEN1
SCHEMBL5033025 0.82 PSEN1 (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 EP claimed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US claimed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 EP disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses CCR1, CCR3, CXCR2 ALDH1A1 865/4885HPGD 2712/4885KDM4E 2323/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 ALDH1A1 865/4885HPGD 2712/4885KDM4E 2323/4885

“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.