SCHEMBL6501986

SCHEMBL6501986

Cc1ccc(N(C)C(=O)CC2SC(NC3CC4C=CC3C4)=NC2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
NSD2 O96028 1/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 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
SCHEMBL6501293 0.92 MEN1 (0.32) MEN1KMT2AUSP2TSHRKDM4E
SCHEMBL6506064 0.91 TSHR (0.41) MEN1KMT2AUSP2TSHRALDH1A1
SCHEMBL6504837 0.91 MEN1 (0.32) MEN1KMT2AUSP2TSHRALDH1A1
SCHEMBL6427691 0.91 ALDH1A1 (0.33) MEN1KMT2AUSP2TSHRALDH1A1
SCHEMBL6501582 0.90 ALDH1A1 (0.35) KDM4EMAPTALDH1A1LMNAEPHX2
SCHEMBL6504717 0.87 MMP2 (0.32) EPHX2
SCHEMBL6427407 0.86 ALDH1A1 (0.32) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6501771 0.84 CTPS1 (0.38) MAPTALDH1A1
SCHEMBL6426010 0.83 MAPT (0.30) MAPT
SCHEMBL6427354 0.81 POLQ (0.37) HTTMEN1KMT2AMAPTALDH1A1

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 HTT 3969/4885MEN1 979/4885KMT2A 3213/4885

“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.