SCHEMBL5029490

SCHEMBL5029490

COC(=O)c1ccc(C)c(-c2ccc(NC(=O)Nc3ccccc3C)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.74
MAPT P10636 6/20 0.74
NPC1 O15118 5/20 0.74
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
KDR P35968 8/20 0.53
PDGFRB P09619 3/20 0.53
DDX3X O00571 2/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KIT P10721 2/20 0.49
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49
PDGFRA P16234 1/20 0.49
FLT3 P36888 2/20 0.48

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
SCHEMBL5032072 0.90 PDGFRB (0.63) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5030827 0.90 RAB9A (0.72) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5030786 0.86 MAPT (0.55) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5033837 0.84 IL2 (0.59) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5030839 0.84 MAPT (0.52) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5032048 0.84 MAPT (0.51) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5526355 0.82 RAB9A (0.62) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5124801 0.80 ALDH1A1 (0.52) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL821283 0.79 PTGS2 (0.59) RAB9AMAPTHTTKDM4EKMT2A
SCHEMBL8232324 0.78 ALDH1A1 (0.47) MAPTKDM4EKDRPDGFRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US claimed
EP-1983971-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US claimed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
EP-1983971-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007087441-A2 SUBSTITUTED AROMATIC 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-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses CCR1, NLRP1, NLRP3 RAB9A 1795/4885MAPT 1413/4885NPC1 634/4885
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, NLRP1, NLRP3 RAB9A 1795/4885MAPT 1413/4885NPC1 634/4885

“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.