SCHEMBL29773638

SCHEMBL29773638

CNC(=S)N/N=C/c1nccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA3 Q9Y6Q9 3/20 0.71
▸ TOP2A P11388 2/20 0.57
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NCOA1 Q15788 2/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ HTT P42858 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ RRM2 P31350 1/20 0.44
▸ ALOX12 P18054 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL31237388 0.83 NCOA3 (1.00) NCOA3NCOA1NPSR1HTTRRM2
SCHEMBL29773648 0.83 NCOA3 (1.00) NCOA3NCOA1NPSR1HTTRRM2
SCHEMBL13927328 0.83 NCOA3 (1.00) NCOA3NCOA1NPSR1HTTRRM2
SCHEMBL782069 0.83 NCOA3 (1.00) NCOA3NCOA1NPSR1HTTRRM2
SCHEMBL29773626 0.83 NCOA3 (0.70) NCOA3TOP2ANCOA1NPSR1HTT
SCHEMBL29773611 0.83 NCOA3 (0.70) NCOA3TOP2ANCOA1NPSR1HTT
SCHEMBL29773615 0.82 NCOA3 (0.49) NCOA3TOP2AMEN1KMT2ANCOA1
SCHEMBL29773620 0.81 NCOA3 (0.75) NCOA3TOP2AMEN1KMT2ANCOA1
SCHEMBL29773635 0.81 NCOA3 (0.54) NCOA3TOP2AMEN1KMT2ANCOA1
SCHEMBL29773628 0.81 NCOA3 (0.54) NCOA3TOP2AMEN1KMT2ANCOA1

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-12528774-B2 Thiosemicarbazone compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-01-20 — — US disclosed
US-20220274929-A1 THIOSEMICARBAZONE COMPOUNDS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-09-01 — — 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 (2 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-20220274929-A1 THIOSEMICARBAZONE COMPOUNDS AND USES THEREOF TST, TPMT, ABCG2 NCOA3 408/4885TOP2A 183/4885MEN1 2719/4885
US-12528774-B2 Thiosemicarbazone compounds and uses thereof SCN2B, SCN1B, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NCOA3 412/4885TOP2A 266/4885MEN1 984/4885

“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.

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