SCHEMBL5213765

SCHEMBL5213765

COC(=O)CCc1oc(Cl)nc1-c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
NR4A2 P43354 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
VEGFA P15692 1/20 0.41
FLT1 P17948 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
EGFR P00533 1/20 0.41
AVPR1B P47901 2/20 0.40
VDR P11473 1/20 0.40
PPARD Q03181 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
RPS6KB2 Q9UBS0 1/20 0.40
CNR2 P34972 3/20 0.39

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
SCHEMBL5402803 0.88 KDM4E (0.43) RXRARXRBRXRGNR4A2MEN1
SCHEMBL1362553 0.85 CYP11B1 (0.43) RXRARXRBRXRGMEN1KMT2A
SCHEMBL1362051 0.84 MEN1 (0.46) RXRARXRBRXRGMEN1KMT2A
SCHEMBL5208765 0.81 MAPT (0.51) MEN1KMT2AVDRPPARDKDM4E
SCHEMBL5212455 0.81 CYP11B1 (0.43) MEN1KMT2ATP53RPS6KB2CNR2
SCHEMBL10832406 0.79 MAPT (0.47) RXRARXRBRXRGNR4A2
SCHEMBL5206515 0.78 MKNK1 (0.44) RXRARXRBRXRGNR4A2AVPR1B
SCHEMBL7461993 0.78 MAPT (0.40) RXRARXRBRXRGMEN1KMT2A
SCHEMBL1362343 0.78 PTPN1 (0.40) PPARDKDM4ETP53TRPV1
SCHEMBL5215345 0.76 KDM4E (0.47) MEN1KMT2AKDM4ETP53

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.