SCHEMBL5214841

SCHEMBL5214841

O=C(O)CCc1oc(-c2ccc3c(c2)OCO3)nc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 2/20 0.47
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 3/20 0.47
TGFBR1 P36897 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.43
CTNNB1 P35222 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 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
SCHEMBL5211457 0.90 NPC1 (0.47) TP53KDM4EHSD17B10KMT2ATGFBR1
SCHEMBL5209211 0.88 MAPT (0.43) TP53KDM4EHSD17B10KMT2APOLB
SCHEMBL5210892 0.81 RXRA (0.62) KDM4ERXRARXRBRXRGMAPT
SCHEMBL5210730 0.81 RXRA (0.53) KDM4ERXRARXRBRXRGMAPT
SCHEMBL5211488 0.79 RXRA (0.50) TP53KDM4EHSD17B10RXRARXRB
SCHEMBL5210084 0.77 TACR1 (0.46) KDM4EKMT2APOLBMAPTTSHR
SCHEMBL5208944 0.76 HDAC1 (0.42) TP53KMT2AMAPTTSHRLMNA
SCHEMBL5208936 0.76 MAPT (0.40) TP53KDM4EKMT2AMAPTGAA
SCHEMBL5208589 0.76 RXRA (0.56) KDM4EHSD17B10RXRARXRBRXRG
SCHEMBL5211557 0.75 RXRA (0.56) KDM4ERXRARXRBRXRGTSHR

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 TP53 4375/4885KDM4E 2428/4885HSD17B10 154/4885

“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.