SCHEMBL5211706

SCHEMBL5211706

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
PTGS1 P23219 1/20 0.48
EPHX2 P34913 1/20 0.48
PTGS2 P35354 1/20 0.48
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
VDR P11473 1/20 0.42
PPARD Q03181 1/20 0.42
SMO Q99835 1/20 0.41
AVPR1B P47901 3/20 0.40
RPS6KB2 Q9UBS0 1/20 0.39
KMO O15229 2/20 0.39
KDR P35968 1/20 0.38
NOTUM Q6P988 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AGPAT2 O15120 1/20 0.38
CCNC P24863 1/20 0.38

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
SCHEMBL5211537 0.88 RXRA (0.47) RXRARXRBRXRGMAPTMEN1
SCHEMBL5210973 0.88 RXRA (0.64) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL1362051 0.85 MEN1 (0.46) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5211259 0.80 FAAH (0.44) RXRARXRBRXRGMAPTMEN1
SCHEMBL5207499 0.80 CCNC (0.48) RXRARXRBRXRGMAPTMEN1
SCHEMBL5214884 0.79 SMO (0.44) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5402803 0.79 KDM4E (0.43) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL5209458 0.78 LMNA (0.44) MAPT
SCHEMBL5212252 0.78 MAPT (0.47) MAPTMEN1KMT2AVDRPPARD
SCHEMBL5206674 0.77 MKNK1 (0.46) RXRARXRBRXRGPTGS1EPHX2

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.