SCHEMBL5208460

SCHEMBL5208460

CC(C)(c1ccccc1NC(=O)CCCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)P(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 1/20 0.34
PIN1 Q13526 2/20 0.33
MAPT P10636 3/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC3 O15379 1/20 0.32
FDPS P14324 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
SCHEMBL5213373 0.96 ALDH1A1 (0.35) KMT2AALDH1A1KDM4ETP53POLB
SCHEMBL5210939 0.91 KMT2A (0.34) KMT2AALDH1A1KDM4ETP53POLB
SCHEMBL5210300 0.83 TP53 (0.35) KMT2AALDH1A1TP53POLBSMN1; SMN2
SCHEMBL5214935 0.82 SMN1; SMN2 (0.36) ALDH1A1TP53POLBSMN1; SMN2HDAC1
SCHEMBL5209678 0.81 KMT2A (0.40) KMT2AKDM4ETP53POLBSMN1; SMN2
SCHEMBL5209814 0.81 POLB (0.37) ALDH1A1TP53POLBMAPTLMNA
SCHEMBL5207492 0.81 AURKA (0.37) TP53POLBSMN1; SMN2PIN1MAPT
SCHEMBL5211927 0.80 TP53 (0.33) KMT2ATP53SMN1; SMN2HDAC1HDAC2
SCHEMBL5213712 0.80 POLB (0.46) ALDH1A1TP53POLBSMN1; SMN2MAPT
SCHEMBL5211132 0.80 POLB (0.34) ALDH1A1KDM4ETP53POLBPIN1

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 6 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 claimed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US claimed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP claimed
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 KMT2A 680/4885ALDH1A1 1651/4885KDM4E 2428/4885

“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.