SCHEMBL5215005

SCHEMBL5215005

CCC(CC)(c1ccc(NC(=O)CCc2oc(-c3ccc(Cl)c(Cl)c3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP3 Q9Y6F1 2/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CETP P11597 6/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL5213172 0.90 CETP (0.40) PARP3CASP3SENP8SENP7SENP6
SCHEMBL5208383 0.90 SMO (0.43) PARP3CASP3SENP8SENP7SENP6
SCHEMBL5207600 0.89 TP53 (0.44) PARP3CASP3SENP8SENP7SENP6
SCHEMBL5208936 0.88 MAPT (0.40) MAPTMEN1MAPK1KMT2AKDM4E
SCHEMBL5207440 0.88 CETP (0.47) CETPMAPTMEN1MAPK1KMT2A
SCHEMBL5207015 0.87 MAPT (0.41) PARP3CASP3SENP8SENP7SENP6
SCHEMBL5211936 0.86 MAPT (0.42) PARP3CASP3SENP8SENP7SENP6
SCHEMBL5211337 0.85 SMO (0.42) PARP3CASP3SENP8SENP7SENP6
SCHEMBL5210828 0.85 MAPT (0.41) MAPTMEN1LMNAGLAMAPK1
SCHEMBL5207462 0.85 MAPT (0.41) PARP3CASP3SENP8SENP7SENP6

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 PARP3 3949/4885CASP3 2579/4885SENP8 4408/4885

“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.