SCHEMBL5773828

SCHEMBL5773828

O=C(O)Cc1cnoc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.47
NR4A1 P22736 2/20 0.47
NR4A3 Q92570 2/20 0.47
AKR1B1 P15121 2/20 0.44
PTGS1 P23219 3/20 0.43
ABCC4 O15439 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
TDO2 P48775 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
PTPN1 P18031 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL5774472 0.83 RXRA (0.50) NR4A2NR4A1NR4A3PTGS1ABCC4
SCHEMBL5773585 0.81 ALDH1A1 (0.54) NR4A2NR4A1NR4A3PTGS1ABCC4
SCHEMBL5774948 0.81 FFAR1 (0.51) NR4A2NR4A1NR4A3PTGS1ABCC4
SCHEMBL5772173 0.80 TDO2 (0.55) NR4A2TSHRGAATDO2KDM4E
SCHEMBL5770831 0.78 NR4A2 (0.52) NR4A2NR4A1NR4A3PTGS1ABCC4
SCHEMBL5775970 0.77 TDO2 (0.51) TDO2KDM4EALDH1A1PTPN1MMP3
SCHEMBL1796231 0.77 TDO2 (0.42) NR4A2LMNATDO2ALDH1A1PTPN1
SCHEMBL5776248 0.75 TDO2 (0.45) NR4A2TDO2ALDH1A1PTPN1RXRA
SCHEMBL5773847 0.74 CCNC (0.47) NR4A2PTGS1TSHRGAAKDM4E
SCHEMBL5776861 0.73 PPARA (0.48) NR4A2NR4A1NR4A3PTGS1ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US claimed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US claimed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP claimed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR NR4A2 698/4885NR4A1 429/4885NR4A3 152/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NR4A2 953/4885NR4A1 282/4885NR4A3 582/4885

“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.