SCHEMBL5213373

SCHEMBL5213373

CC(C)(c1ccccc1NC(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)P(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 4/20 0.34
PIN1 Q13526 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
EGFR P00533 1/20 0.33
KMT2A Q03164 2/20 0.33
FDPS P14324 1/20 0.33
MEN1 O00255 1/20 0.33
MKNK2 Q9HBH9 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL5208460 0.96 KMT2A (0.35) ALDH1A1KDM4ETP53POLBPIN1
SCHEMBL5210939 0.87 KMT2A (0.34) ALDH1A1KDM4ETP53POLBPIN1
SCHEMBL5213712 0.84 POLB (0.46) ALDH1A1TP53POLBSMN1; SMN2MAPT
SCHEMBL5209280 0.84 NPC1 (0.41) ALDH1A1TP53POLBPIN1SMN1; SMN2
SCHEMBL5211132 0.83 POLB (0.34) ALDH1A1KDM4ETP53POLBPIN1
SCHEMBL5211421 0.83 TNKS (0.42) ALDH1A1KDM4EPOLBPIN1MAPT
SCHEMBL5215515 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBLMNAKMT2A
SCHEMBL5215192 0.82 PIN1 (0.43) POLBPIN1MAPT
SCHEMBL5207013 0.82 MAPT (0.39) ALDH1A1TP53POLBMAPTLMNA
SCHEMBL5211745 0.82 MAPT (0.41) ALDH1A1KDM4ETP53POLBSMN1; SMN2

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 ALDH1A1 1651/4885KDM4E 2428/4885TP53 4375/4885

“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.