SCHEMBL5209795

SCHEMBL5209795

Cc1cc(Cl)ccc1CNC(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.38
P2RX7 Q99572 4/20 0.38
PIK3CD O00329 1/20 0.38
TP53 P04637 5/20 0.38
LMNA P02545 1/20 0.36
ENPP2 Q13822 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5211694 0.95 TP53 (0.42) ASAH1P2RX7PIK3CDTP53LMNA
SCHEMBL5210310 0.94 P2RX7 (0.39) ASAH1P2RX7PIK3CDTP53LMNA
SCHEMBL5211863 0.91 CNR1 (0.42) TP53LMNAENPP2L3MBTL1MAPT
SCHEMBL5207548 0.91 TP53 (0.41) ASAH1P2RX7PIK3CDTP53LMNA
SCHEMBL5209979 0.90 CNR1 (0.39) P2RX7TP53LMNAENPP2L3MBTL1
SCHEMBL5210908 0.89 PKM (0.42) TP53LMNAL3MBTL1MAPTPOLB
SCHEMBL5206933 0.88 ENPP2 (0.47) TP53LMNAENPP2L3MBTL1MAPT
SCHEMBL5209717 0.88 BRD4 (0.43) P2RX7TP53LMNAMAPTALDH1A1
SCHEMBL5211686 0.88 ALDH1A1 (0.40) P2RX7TP53LMNAENPP2MAPT
SCHEMBL5208698 0.87 TP53 (0.46) ASAH1TP53LMNAENPP2TSHR

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 ASAH1 4549/4885P2RX7 2896/4885PIK3CD 4639/4885

“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.