SCHEMBL5772173

SCHEMBL5772173

OCc1cnoc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.55
NOTUM Q6P988 6/20 0.44
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
PTPN1 P18031 1/20 0.36
NR4A2 P43354 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34

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
SCHEMBL5775970 0.96 TDO2 (0.51) TDO2NOTUMPDCD1CD274PTPN1
SCHEMBL5776248 0.82 TDO2 (0.45) TDO2NOTUMPTPN1NR4A2ALDH1A1
SCHEMBL5774121 0.81 TDO2 (0.47) TDO2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5775491 0.81 PPARA (0.45) TDO2PTPN1GAAMEN1KMT2A
SCHEMBL1796231 0.81 TDO2 (0.42) TDO2NOTUMPTPN1NR4A2ALDH1A1
SCHEMBL5773828 0.80 NR4A2 (0.47) TDO2PTPN1NR4A2GAAKDM4E
SCHEMBL5773427 0.80 TDO2 (0.42) TDO2NOTUMALDH1A1MEN1KMT2A
SCHEMBL5776120 0.80 TDO2 (0.49) TDO2NOTUMPTPN1NR4A2NPC1
SCHEMBL5774472 0.78 RXRA (0.50) NR4A2KDM4EALDH1A1MAPTHPGD
SCHEMBL5773578 0.78 MAPK13 (0.36) TDO2GAAKDM4EALDH1A1MAPT

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 TDO2 1366/4885NOTUM 617/4885PDCD1 4449/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TDO2 1432/4885NOTUM 1237/4885PDCD1 4401/4885

“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.