SCHEMBL29773628

SCHEMBL29773628

CNC(=S)N/N=C/c1nccc2c(NC)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA3 Q9Y6Q9 3/20 0.54
▸ NCOA1 Q15788 2/20 0.54
▸ RRM2 P31350 3/20 0.53
▸ TOP2A P11388 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.45
▸ G6PD P11413 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTH P32929 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RRM1 P23921 1/20 0.39

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
SCHEMBL29773635 1.00 NCOA3 (0.54) NCOA3NCOA1RRM2TOP2AMEN1
SCHEMBL29773651 0.88 NCOA3 (0.71) NCOA3NCOA1RRM2POLBHTT
SCHEMBL29773641 0.85 NCOA3 (0.75) NCOA3NCOA1RRM2TOP2AMEN1
SCHEMBL29773620 0.85 NCOA3 (0.75) NCOA3NCOA1RRM2TOP2AMEN1
SCHEMBL29773638 0.81 NCOA3 (0.71) NCOA3NCOA1RRM2TOP2AMEN1
SCHEMBL29773630 0.74 TOP2A (0.52) NCOA3NCOA1TOP2AMEN1KMT2A
SCHEMBL29773615 0.72 NCOA3 (0.49) NCOA3NCOA1RRM2TOP2AMEN1
SCHEMBL29773649 0.70 NCOA3 (1.00) NCOA3NCOA1RRM2POLBHTT
SCHEMBL2681138 0.70 TOP2A (0.53) NCOA3NCOA1RRM2TOP2AMEN1
SCHEMBL13611503 0.67 TOP2A (1.00) TOP2AMEN1KMT2AHTTKDM4E

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 408/4885NCOA1 803/4885RRM2 1505/4885
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 412/4885NCOA1 696/4885RRM2 1934/4885

“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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