SCHEMBL5208874

SCHEMBL5208874

Cn1c(-c2nc(-c3ccc(Cl)cc3)c(CCC(=O)O)o2)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.47
RXRB P28702 13/20 0.47
RXRG P48443 10/20 0.47
ALDH1A1 P00352 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NR4A2 P43354 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL5212387 0.89 KDM4E (0.38) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL5211801 0.84 TACR1 (0.43) MAPT
SCHEMBL5210892 0.80 RXRA (0.62) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL5210730 0.80 RXRA (0.53) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL5210928 0.79 RXRA (0.46) RXRARXRBRXRGALDH1A1HDAC6
SCHEMBL5214453 0.78 CNR2 (0.38) NR1H2MAPT
SCHEMBL5214457 0.78 NR1H2 (0.40) ALDH1A1NR1H2KMT2AKDM4EMAPT
SCHEMBL5206931 0.76 RXRA (0.51) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL5213169 0.75 RXRA (0.49) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL5210210 0.74 PTGS2 (0.31) KMT2ACYP2C9

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.