SCHEMBL22633972

SCHEMBL22633972

O=C1c2ccccc2C(=O)N1NC(O)=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ CYP1A2 P05177 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ LMNA P02545 3/20 0.50
▸ CYP2C19 P33261 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ POLB P06746 1/20 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
SCHEMBL28913363 0.82 ALDH1A1 (0.51) MEN1KMT2AL3MBTL1CYP1A2KDM4E
SCHEMBL1512585 0.81 MEN1 (0.62) MEN1KMT2AL3MBTL1CYP1A2KDM4E
SCHEMBL11393946 0.80 KMT2A (0.55) MEN1KMT2AL3MBTL1CYP1A2KDM4E
SCHEMBL22638009 0.79 GAA (0.50) MEN1KMT2AL3MBTL1CYP1A2KDM4E
SCHEMBL11530550 0.78 ALDH1A1 (0.61) MEN1KMT2AL3MBTL1CYP1A2KDM4E
SCHEMBL11817094 0.76 MEN1 (0.79) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL30423816 0.76 MEN1 (0.79) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL11403202 0.76 LMNA (0.53) MEN1KMT2AL3MBTL1CYP1A2KDM4E
SCHEMBL17690051 0.75 ALDH1A1 (0.58) MEN1KMT2AL3MBTL1CYP1A2KDM4E
SCHEMBL22649378 0.75 ALDH1A1 (0.58) MEN1KMT2AL3MBTL1CYP1A2KDM4E

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-20200354318-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 — — US disclosed
WO-2020227592-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 — — WO 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-20200354318-A1 THIOSEMICARBAZATES AND USES THEREOF TST, ABAT, AADAC MEN1 850/4885KMT2A 1523/4885L3MBTL1 757/4885

“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