SCHEMBL5210973

SCHEMBL5210973

O=C(O)CCc1oc(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.64
RXRB P28702 17/20 0.64
RXRG P48443 12/20 0.64
PTGS1 P23219 2/20 0.58
EPHX2 P34913 2/20 0.58
PTGS2 P35354 2/20 0.58
NR4A2 P43354 5/20 0.46
KDM4E B2RXH2 1/20 0.43
ABCC4 O15439 1/20 0.43
C5 P01031 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
TBXA2R P21731 1/20 0.43
NR4A1 P22736 1/20 0.43
HTR2A P28223 1/20 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
SCHEMBL5211706 0.88 RXRA (0.50) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5210892 0.86 RXRA (0.62) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL7506597 0.85 RXRA (0.59) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL7506492 0.80 RXRA (0.47) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5211557 0.79 RXRA (0.56) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5210730 0.79 RXRA (0.53) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5215419 0.77 RXRA (0.54) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5214888 0.77 RXRA (0.40) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5211488 0.77 RXRA (0.50) RXRARXRBRXRGKDM4EHPGD
SCHEMBL5207385 0.77 NR4A2 (0.51) RXRARXRBRXRGNR4A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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 (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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 RXRA 1231/4885RXRB 1269/4885RXRG 1203/4885

“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.