SCHEMBL5211644

SCHEMBL5211644

O=C(O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.50
RXRB P28702 9/20 0.50
RXRG P48443 6/20 0.50
PTGS1 P23219 1/20 0.46
EPHX2 P34913 1/20 0.46
PTGS2 P35354 1/20 0.46
HDAC6 Q9UBN7 1/20 0.40
TEAD2 Q15562 2/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
NR4A2 P43354 2/20 0.38
MKNK1 Q9BUB5 4/20 0.37
MKNK2 Q9HBH9 3/20 0.37
FGFR1 P11362 1/20 0.37
PLK1 P53350 1/20 0.36

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
SCHEMBL5213384 0.89 RXRA (0.47) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5206674 0.89 MKNK1 (0.46) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5212100 0.89 RXRA (0.51) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5216370 0.88 HDAC6 (0.46) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5211394 0.85 HDAC6 (0.42) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5212489 0.83 RXRA (0.43) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5211580 0.83 RXRA (0.42) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5213245 0.83 HTT (0.46) RXRARXRBPTGS2HDAC6FGFR1
SCHEMBL5213449 0.83 RXRA (0.43) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5210727 0.81 TRPV1 (0.42)

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.