SCHEMBL5030786

SCHEMBL5030786

COC(=O)c1ccc(C)c(-c2ccc(NC(=O)Nc3cccnc3C)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
KDR P35968 4/20 0.52
PDGFRB P09619 3/20 0.52
CYP3A4 P08684 2/20 0.50
P2RY1 P47900 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 2/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.45
ABL1 P00519 1/20 0.45
SLC2A1 P11166 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
MECP2 P51608 1/20 0.44

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
SCHEMBL5526355 0.87 RAB9A (0.62) MAPTRAB9ANPC1KDRPDGFRB
SCHEMBL5029490 0.86 RAB9A (0.74) MAPTRAB9ANPC1KDRPDGFRB
SCHEMBL5032072 0.84 PDGFRB (0.63) MAPTRAB9ANPC1KDRPDGFRB
SCHEMBL5030827 0.83 RAB9A (0.72) MAPTRAB9ANPC1KDRPDGFRB
SCHEMBL5030839 0.83 MAPT (0.52) MAPTRAB9ANPC1KDRPDGFRB
SCHEMBL5033837 0.83 IL2 (0.59) MAPTRAB9ANPC1KDRPDGFRB
SCHEMBL5032048 0.82 MAPT (0.51) MAPTRAB9ANPC1KDRPDGFRB
SCHEMBL5030742 0.77 PDGFRB (0.46) MAPTRAB9ANPC1KDRPDGFRB
SCHEMBL5033860 0.77 KDR (0.51) MAPTRAB9ANPC1KDRPDGFRB
SCHEMBL5027352 0.77 IMPDH2 (0.55) MAPTRAB9ANPC1KDRP2RY1

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
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
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 MAPT 1413/4885RAB9A 1795/4885NPC1 634/4885
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, NLRP1, NLRP3 MAPT 1413/4885RAB9A 1795/4885NPC1 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.