SCHEMBL5207866

SCHEMBL5207866

CN(CCS(C)(=O)=O)C(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH3A1 P30838 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
AGTR1 P30556 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5211765 0.86 ALDH1A1 (0.42) GABRA1GABRA5GABRB2KMT2AKDM4E
SCHEMBL5210231 0.85 LMNA (0.40) TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL14609752 0.84 TSPO (0.37) KMT2AKDM4EALDH1A1
SCHEMBL5215764 0.83 NPC1 (0.48) KMT2AKDM4EALDH1A1
SCHEMBL5213384 0.82 RXRA (0.47) TSHRKMT2AKDM4ENR4A2ALDH1A1
SCHEMBL5211701 0.81 MKNK1 (0.42) ALDH3A1KMT2ANR4A2ALDH1A1SMN1; SMN2
SCHEMBL14609887 0.80 ATM (0.42) TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL5212748 0.79 LMNA (0.51) KMT2A
SCHEMBL5211614 0.79 TSHR (0.40) TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL5212489 0.78 RXRA (0.43) KMT2ANR4A2

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 GABRA1 2629/4885GABRA5 1852/4885GABRB2 1344/4885

“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.