SCHEMBL5457580

SCHEMBL5457580

COC(=O)c1ccc(Br)c(-c2ccc(NC(=O)C(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
MLYCD O95822 1/20 0.45
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F11 P03951 1/20 0.43
PLAU P00749 2/20 0.43
ROCK2 O75116 1/20 0.43
PTPN1 P18031 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL5124801 0.86 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL5466777 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL5458586 0.82 KMT2A (0.52) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD
SCHEMBL5034978 0.81 TGM2 (0.49) PLAUROCK2PTPN1MEN1KMT2A
SCHEMBL13391037 0.80 MEN1 (0.62) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL5448213 0.80 TP53 (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1
SCHEMBL8228782 0.78 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2RAB9AHPGD
SCHEMBL26885119 0.75 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL26886521 0.74 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL22532820 0.72 PTPN1 (0.53) ALDH1A1SMN1; SMN2RAB9AHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US claimed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US 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-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
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

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 865/4885KDM4E 2323/4885SMN1; SMN2 4836/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 ALDH1A1 865/4885KDM4E 2323/4885SMN1; SMN2 4836/4885

“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.