SCHEMBL5208632

SCHEMBL5208632

COC(=O)CCc1oc(-n2cnc3cc(C)c(C)cc32)nc1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 2/20 0.35
EGFR P00533 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
USP2 O75604 1/20 0.33

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 0.90 RXRA (0.42) KCNH2KDM4EALDH1A1LMNANPSR1
SCHEMBL5215725 0.87 FAAH (0.37) KCNH2KDM4EEGFRALDH1A1LMNA
SCHEMBL5212347 0.86 RXRA (0.39) KCNH2ALDH1A1LMNANPSR1MAPK1
SCHEMBL6603683 0.80 ALDH1A1 (0.39) KCNH2CYP11B1CYP11B2KDM4EEGFR
SCHEMBL5206515 0.79 MKNK1 (0.44) KDM4EMAPTMKNK1MKNK2
SCHEMBL5206674 0.79 MKNK1 (0.46) KDM4EMAPTMEN1KMT2AMKNK1
SCHEMBL5209069 0.79 MKNK2 (0.44) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL5212186 0.78 HTT (0.46) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5211558 0.78 MAPK14 (0.41) CYP11B1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL5210693 0.77 ALDH1A1 (0.40) CYP11B1CYP11B2KDM4EEGFRALDH1A1

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 KCNH2 437/4885CYP11B1 38/4885CYP11B2 14/4885

“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.