SCHEMBL29773613

SCHEMBL29773613

CN(C)C(=S)N/N=C\c1nccc2cc(F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA3 Q9Y6Q9 3/20 0.48
▸ TOP2A P11388 1/20 0.42
▸ CTH P32929 3/20 0.39
▸ NCOA1 Q15788 2/20 0.39
▸ RRM2 P31350 2/20 0.35
▸ RRM1 P23921 1/20 0.34
▸ RRM2B Q7LG56 1/20 0.34
▸ CISD1 Q9NZ45 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ G6PD P11413 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29773623 1.00 NCOA3 (0.48) NCOA3TOP2ACTHNCOA1RRM2
SCHEMBL29773615 0.84 NCOA3 (0.49) NCOA3TOP2ACTHNCOA1RRM2
SCHEMBL29773644 0.84 NCOA3 (0.68) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL29773611 0.83 NCOA3 (0.70) NCOA3TOP2ACTHNCOA1RRM2
SCHEMBL29773626 0.83 NCOA3 (0.70) NCOA3TOP2ACTHNCOA1RRM2
SCHEMBL29773612 0.77 NCOA3 (0.42) NCOA3TOP2ACTHNCOA1RRM2
SCHEMBL29773624 0.77 NCOA3 (0.42) NCOA3TOP2ACTHNCOA1RRM2
SCHEMBL29773619 0.73 TOP2A (0.48) NCOA3TOP2ACTHNCOA1RRM2
SCHEMBL29773614 0.73 TOP2A (0.48) NCOA3TOP2ACTHNCOA1RRM2
SCHEMBL17067848 0.69 TOP2A (0.43) TOP2AMAOBGLAKMT2ANPC1

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 183/4885CTH 58/4885
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 266/4885CTH 44/4885

“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.

Send feedback