SCHEMBL5033837

SCHEMBL5033837

COC(=O)c1ccc(C)c(-c2ccc(NC(=O)Nc3ccncc3C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.59
MAPT P10636 7/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
PDGFRB P09619 4/20 0.49
KDR P35968 4/20 0.49
ABL1 P00519 2/20 0.47
SLC2A1 P11166 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
ROCK2 O75116 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
ATM Q13315 1/20 0.45
IMPDH2 P12268 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 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
SCHEMBL5030839 0.91 MAPT (0.52) IL2MAPTNPC1RAB9APDGFRB
SCHEMBL5032048 0.87 MAPT (0.51) IL2MAPTNPC1RAB9APDGFRB
SCHEMBL5029490 0.84 RAB9A (0.74) MAPTNPC1RAB9APDGFRBKDR
SCHEMBL5030786 0.83 MAPT (0.55) MAPTNPC1RAB9APDGFRBKDR
SCHEMBL5033860 0.82 KDR (0.51) IL2MAPTNPC1RAB9APDGFRB
SCHEMBL5032072 0.81 PDGFRB (0.63) MAPTNPC1RAB9APDGFRBKDR
SCHEMBL5030827 0.79 RAB9A (0.72) MAPTNPC1RAB9APDGFRBKDR
SCHEMBL5029487 0.79 IMPDH2 (0.54) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL4768116 0.79 STIM1 (0.61) IL2ABL1SLC2A1ROCK2GPBAR1
SCHEMBL5526355 0.78 RAB9A (0.62) MAPTNPC1RAB9APDGFRBKDR

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
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US claimed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US 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
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 IL2 41/4885MAPT 1413/4885NPC1 634/4885
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, NLRP1, NLRP3 IL2 41/4885MAPT 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.