SCHEMBL16569366

SCHEMBL16569366

CCOC(=O)COc1ccc(Br)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
GAA P10253 4/20 0.53
HSD17B10 Q99714 4/20 0.53
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 5/20 0.49
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NTSR1 P30989 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.45

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
SCHEMBL17973238 0.86 KDM4E (0.57) KDM4EGAAHSD17B10NPSR1HPGD
SCHEMBL8251631 0.85 GAA (0.56) KDM4EGAAHSD17B10NPSR1HPGD
SCHEMBL27642525 0.85 SMN1; SMN2 (0.59) KDM4EGAAHSD17B10NPSR1HPGD
SCHEMBL15192727 0.85 BRD4 (0.54) MAPTPDE3BPDE3AP2RY12PTPN1
SCHEMBL14721005 0.84 HPGD (0.56) KDM4EGAAHSD17B10NPSR1HPGD
SCHEMBL5531605 0.82 GAA (0.53) KDM4EGAAHSD17B10NPSR1HPGD
SCHEMBL903866 0.82 GAA (0.53) KDM4EGAAHSD17B10NPSR1HPGD
SCHEMBL7038455 0.82 GAA (0.56) KDM4EGAAHSD17B10NPSR1HPGD
SCHEMBL1257644 0.82 KDM4E (0.56) KDM4EGAAHSD17B10NPSR1HPGD
SCHEMBL6577597 0.82 KDM4E (0.50) KDM4EGAAHSD17B10NPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044211-B1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-01-03 EP disclosed
US-9802901-B2 Antibacterial 2H-indazole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-31 US disclosed
US-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-04 US disclosed
EP-3044211-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-07-20 EP disclosed
WO-2015036964-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-03-19 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 (1 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-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES H1-3, MRPL21, H1-0 KDM4E 2394/4885GAA 3655/4885HSD17B10 1177/4885

“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.