SCHEMBL5211552

SCHEMBL5211552

Cc1cc2ncn(-c3nc(-c4ccc(Cl)cc4)c(CCC(=O)O)o3)c2cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.42
RXRB P28702 7/20 0.42
RXRG P48443 6/20 0.42
KCNH2 Q12809 1/20 0.40
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
FFAR4 Q5NUL3 5/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
TBXA2R P21731 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5212347 0.94 RXRA (0.39) RXRARXRBRXRGKCNH2TSHR
SCHEMBL5208632 0.90 KCNH2 (0.38) KCNH2TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL5215725 0.86 FAAH (0.37) KCNH2TSHRMAPTALDH1A1LMNA
SCHEMBL5213384 0.85 RXRA (0.47) RXRARXRBRXRGTSHRMAPT
SCHEMBL7463535 0.83 RXRA (0.44) RXRARXRBRXRGTSHRMAPT
SCHEMBL5212489 0.80 RXRA (0.43) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL6606347 0.79 RXRA (0.47) RXRARXRBRXRGTSHRMAPT
SCHEMBL5213449 0.79 RXRA (0.43) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL5216370 0.77 HDAC6 (0.46) RXRARXRBRXRGTSHRMAPT
SCHEMBL5212100 0.77 RXRA (0.51) RXRARXRBRXRGNR4A2

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 2 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

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.