SCHEMBL5211488

SCHEMBL5211488

O=C(O)CCc1oc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.50
RXRB P28702 5/20 0.50
RXRG P48443 5/20 0.50
TSHR P16473 2/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.43
TBXA2R P21731 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL5210892 0.90 RXRA (0.62) RXRARXRBRXRGTSHRMAPT
SCHEMBL5213550 0.89 TP53 (0.44) RXRARXRBRXRGTSHRTP53
SCHEMBL13116202 0.88 PTGDR2 (0.51) TSHRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL5209458 0.86 LMNA (0.44) TSHRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL5211557 0.82 RXRA (0.56) RXRARXRBRXRGTSHRKDM4E
SCHEMBL5210730 0.82 RXRA (0.53) RXRARXRBRXRGTSHRMAPT
SCHEMBL5208589 0.81 RXRA (0.56) RXRARXRBRXRGTSHRHSD17B10
SCHEMBL5215419 0.81 RXRA (0.54) RXRARXRBRXRGTSHRKDM4E
SCHEMBL5207385 0.80 NR4A2 (0.51) RXRARXRBRXRGMAPTKDM4E
SCHEMBL5214841 0.79 TP53 (0.49) RXRARXRBRXRGTSHRTP53

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.