SCHEMBL6501293

SCHEMBL6501293

CN(C(=O)CC1SC(NC2CC3C=CC2C3)=NC1=O)c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 1/20 0.30
FOLH1 Q04609 1/20 0.30
POLQ O75417 1/20 0.30

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
SCHEMBL6501986 0.92 HTT (0.36) MEN1USP2TSHRKMT2AKDM4E
SCHEMBL6506064 0.91 TSHR (0.41) MEN1USP2TSHRKMT2A
SCHEMBL6504837 0.91 MEN1 (0.32) MEN1USP2TSHRKMT2AHSD17B10
SCHEMBL6427691 0.91 ALDH1A1 (0.33) MEN1USP2TSHRKMT2AGAA
SCHEMBL6501582 0.90 ALDH1A1 (0.35) KDM4EEPHX2
SCHEMBL6504717 0.89 MMP2 (0.32) EPHX2
SCHEMBL6501771 0.84 CTPS1 (0.38)
SCHEMBL6427407 0.84 ALDH1A1 (0.32) MEN1KMT2AKDM4E
SCHEMBL6426010 0.83 MAPT (0.30)
SCHEMBL6508258 0.82 MAP2K1 (0.43) MEN1USP2TSHRKMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 MEN1 979/4885USP2 3037/4885TSHR 2078/4885

“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.