SCHEMBL29520697

SCHEMBL29520697

Cc1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
HTT P42858 6/20 1.00
KDM4E B2RXH2 6/20 1.00
LMNA P02545 6/20 1.00
GAA P10253 6/20 1.00
ALDH1A1 P00352 5/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
NPSR1 Q6W5P4 3/20 1.00
NR2F2 P24468 1/20 1.00
CACNA1B Q00975 1/20 0.82
APBA1 Q02410 1/20 0.82
KLF5 Q13887 1/20 0.82
HPGD P15428 4/20 0.78
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
ALOX12 P18054 3/20 0.78
CDK2 P24941 2/20 0.72
PRKD3 O94806 1/20 0.72
MAP4K4 O95819 1/20 0.72
PIM1 P11309 1/20 0.72

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
SCHEMBL1684654 0.90 CACNA1B (1.00) MAPTHTTKDM4ELMNAGAA
Bromide SCHEMBL18040712 0.89 CACNA1B (0.98) MAPTHTTKDM4ELMNAGAA
SCHEMBL1684622 0.88 MAPT (0.98) MAPTHTTKDM4ELMNAGAA
SCHEMBL1684729 0.88 MAPT (0.79) MAPTHTTKDM4ELMNAGAA
Bromide SCHEMBL18040722 0.87 MAPT (0.77) MAPTHTTKDM4ELMNAGAA
Bromide SCHEMBL18040791 0.87 MAPT (1.00) MAPTHTTKDM4ELMNAGAA
SCHEMBL12789774 0.87 MAPT (0.76) MAPTHTTKDM4ELMNAGAA
SCHEMBL2355935 0.86 MAPT (0.75) MAPTHTTKDM4ELMNAGAA
SCHEMBL1684910 0.86 PRKD3 (0.78) MAPTHTTKDM4ELMNAGAA
SCHEMBL3644534 0.86 MAPT (0.74) MAPTHTTKDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220249436-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans KCL THERAPEUTICS, INC (US) 2022-08-11 US disclosed
US-11377442-B2 Small molecule agonists and antagonists of NR2F6 activity Zander Biologics, Inc (US) 2022-07-05 US disclosed
US-11324719-B2 Small molecule agonists and antagonists of NR2F6 activity in humans KCL THERAPEUTICS, INC. (US) 2022-05-10 US disclosed
US-11241427-B2 Small molecule modulators of NR2F6 activity KCL THERAPEUTICS, INC. (US) 2022-02-08 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 (4 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-11241427-B2 Small molecule modulators of NR2F6 activity NR2F2, NR2E3, NR2C2 MAPT 4811/4885HTT 4767/4885KDM4E 1747/4885
US-20220249436-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans NR4A2, NR2C2, NR0B2 MAPT 3849/4885HTT 3739/4885KDM4E 3440/4885
US-11324719-B2 Small molecule agonists and antagonists of NR2F6 activity in humans NR4A2, NR2C2, NR0B2 MAPT 3849/4885HTT 3739/4885KDM4E 3440/4885
US-11377442-B2 Small molecule agonists and antagonists of NR2F6 activity NR4A2, NR2C2, NR2F2 MAPT 4240/4885HTT 4280/4885KDM4E 3502/4885

“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.