SCHEMBL5207385

SCHEMBL5207385

NC(=O)CCc1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
RXRA P19793 6/20 0.50
RXRB P28702 6/20 0.50
RXRG P48443 5/20 0.50
IKBKB O14920 2/20 0.45
FAAH O00519 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ADK P55263 1/20 0.41
MAPT P10636 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL5211980 0.94 RXRA (0.49) NR4A2RXRARXRBRXRGIKBKB
SCHEMBL5210892 0.90 RXRA (0.62) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL5213550 0.89 TP53 (0.44) NR4A2RXRARXRBRXRGIKBKB
SCHEMBL5211085 0.88 NR4A2 (0.42) NR4A2RXRARXRBRXRGIKBKB
SCHEMBL5212957 0.86 IKBKB (0.47) IKBKBKDM4EMEN1KMT2APTGDR2
SCHEMBL5211557 0.85 RXRA (0.56) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL5211537 0.84 RXRA (0.47) RXRARXRBRXRGFAAHKCNH2
SCHEMBL5215419 0.83 RXRA (0.54) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL5211453 0.82 ALDH1A1 (0.41) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL5210708 0.82 NR4A2 (0.51) NR4A2RXRARXRBRXRGKDM4E

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 NR4A2 18/4885RXRA 1231/4885RXRB 1269/4885

“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.