SCHEMBL5212347

SCHEMBL5212347

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 4/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTB4R Q15722 1/20 0.36
FFAR4 Q5NUL3 4/20 0.35
PPARG P37231 4/20 0.35
PPARD Q03181 4/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGS1 P23219 1/20 0.35
EPHX2 P34913 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5211552 0.94 RXRA (0.42) RXRARXRBRXRGKCNH2MAPT
SCHEMBL5215725 0.89 FAAH (0.37) KCNH2MAPTTSHRALDH1A1LMNA
SCHEMBL5208632 0.86 KCNH2 (0.38) KCNH2MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL5212489 0.86 RXRA (0.43) RXRARXRBRXRGLTB4RPPARG
SCHEMBL5213449 0.83 RXRA (0.43) RXRARXRBRXRGLTB4RPTGS1
SCHEMBL7461461 0.80 RXRA (0.43) RXRARXRBRXRGTSHRFFAR4
SCHEMBL5213384 0.80 RXRA (0.47) RXRARXRBRXRGMAPTTSHR
SCHEMBL7463535 0.77 RXRA (0.44) RXRARXRBRXRGMAPTTSHR
SCHEMBL5215187 0.75 FAAH (0.42) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL5209795 0.74 ASAH1 (0.38) MAPTTSHRSMN1; SMN2ALDH1A1LMNA

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.