SCHEMBL5213384

SCHEMBL5213384

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.47
RXRB P28702 10/20 0.47
RXRG P48443 7/20 0.47
HDAC6 Q9UBN7 2/20 0.42
EGLN3 Q9H6Z9 1/20 0.41
NR4A2 P43354 3/20 0.40
KMT2A Q03164 1/20 0.40
FGFR1 P11362 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
PLK1 P53350 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
SCHEMBL5212489 0.94 RXRA (0.43) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5213449 0.93 RXRA (0.43) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5216370 0.93 HDAC6 (0.46) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5211701 0.91 MKNK1 (0.42) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL5211394 0.90 HDAC6 (0.42) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5206584 0.90 KMT2A (0.41) RXRARXRBRXRGKMT2AFGFR1
SCHEMBL5212100 0.89 RXRA (0.51) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5211644 0.89 RXRA (0.50) RXRARXRBRXRGHDAC6EGLN3
SCHEMBL5215192 0.89 PIN1 (0.43) MAPT
SCHEMBL5211421 0.88 TNKS (0.42) KMT2AALDH1A1KDM4EMAPT

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 8 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
US-6498179-B1 SUCH AS 4-(4-CHLOROPHENYL)-5-(3-(2-METHOXYPHENOXY)PROPYL)-2-(2-METHYL-1 -IMIDAZOLYL)OXAZOLE; INSULIN SECERTION PROMOTING AND BLOOD SUGAR DEPRESSING EFFECT; DIABETES; LOW TOXICITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US disclosed
EP-0891340-B1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed
EP-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO 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.