SCHEMBL5211580

SCHEMBL5211580

O=C(O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
CFTR P13569 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
FFAR1 O14842 3/20 0.39
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL5216370 0.90 HDAC6 (0.46) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5211394 0.89 HDAC6 (0.42) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5212615 0.89 ALDH1A1 (0.42) CFTRMKNK2AURKAKDRAURKB
SCHEMBL5213384 0.87 RXRA (0.47) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5213245 0.85 HTT (0.46) RXRARXRBHDAC6KDRALDH1A1
SCHEMBL5210803 0.84 AURKA (0.43) MKNK2AURKAKDRAURKBTRPV1
SCHEMBL5208185 0.83 ENPP2 (0.42) HDAC6MKNK2ALDH1A1LMNAHPGD
SCHEMBL5211644 0.83 RXRA (0.50) RXRARXRBRXRGHDAC6MKNK2
SCHEMBL5212489 0.82 RXRA (0.43) RXRARXRBRXRGHDAC6PPARG
SCHEMBL5213449 0.81 RXRA (0.43) RXRARXRBRXRGHDAC6EGLN3

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.