SCHEMBL5216370

SCHEMBL5216370

O=C(O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.46
EGLN3 Q9H6Z9 1/20 0.45
RXRA P19793 11/20 0.43
RXRB P28702 11/20 0.43
RXRG P48443 6/20 0.43
NR4A2 P43354 5/20 0.43
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
PTGS1 P23219 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
SCHEMBL5211394 0.93 HDAC6 (0.42) HDAC6EGLN3RXRARXRBRXRG
SCHEMBL5213384 0.93 RXRA (0.47) HDAC6EGLN3RXRARXRBRXRG
SCHEMBL5212100 0.90 RXRA (0.51) HDAC6EGLN3RXRARXRBRXRG
SCHEMBL5213245 0.90 HTT (0.46) HDAC6RXRARXRBKDM4ELMNA
SCHEMBL5211580 0.90 RXRA (0.42) HDAC6EGLN3RXRARXRBRXRG
SCHEMBL5209069 0.88 MKNK2 (0.44) HDAC6EGLN3KDM4ELMNAHPGD
SCHEMBL5211644 0.88 RXRA (0.50) HDAC6EGLN3RXRARXRBRXRG
SCHEMBL5212489 0.87 RXRA (0.43) HDAC6EGLN3RXRARXRBRXRG
SCHEMBL5213449 0.86 RXRA (0.43) HDAC6EGLN3RXRARXRBRXRG
SCHEMBL5211659 0.83 NPC1 (0.40) KDM4EPTGS2MAPT

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 2 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

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 HDAC6 1663/4885EGLN3 534/4885RXRA 1231/4885

“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.