SCHEMBL5212017

SCHEMBL5212017

O=C(O)CCc1oc(Sc2ncccn2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.49
RXRB P28702 13/20 0.49
RXRG P48443 11/20 0.49
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
NR4A2 P43354 3/20 0.40
FFAR4 Q5NUL3 4/20 0.39
ABCC4 O15439 1/20 0.38
C5 P01031 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 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
SCHEMBL5213090 0.90 NR4A2 (0.39) RXRARXRBRXRGKDM4EMAPT
SCHEMBL7453967 0.88 RXRA (0.49) RXRARXRBRXRGTSHRKDM4E
SCHEMBL1360256 0.87 ALDH1A1 (0.38) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL7459105 0.86 RXRA (0.54) RXRARXRBRXRGTSHRKDM4E
SCHEMBL1362241 0.84 SIRT2 (0.40) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL7463340 0.82 RXRA (0.51) RXRARXRBRXRGTSHRKDM4E
SCHEMBL7457869 0.82 RXRA (0.47) RXRARXRBRXRGTSHRKDM4E
SCHEMBL7462396 0.81 RXRA (0.46) RXRARXRBRXRGTSHRKDM4E
SCHEMBL7456534 0.81 ALDH1A1 (0.48) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL7457909 0.79 RXRA (0.48) RXRARXRBRXRGTSHRKDM4E

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.