SCHEMBL31668677

SCHEMBL31668677

S=C(Nc1ccc(NC(=S)Nc2cccc3cc[nH]c23)cc1)Nc1cccc2cc[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.51
▸ MAOA P21397 6/20 0.51
▸ KMT2A Q03164 5/20 0.50
▸ GAA P10253 1/20 0.47
▸ NR3C1 P04150 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ AR P10275 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CASP3 P42574 1/20 0.44

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
SCHEMBL31668711 0.81 TRPV1 (0.65) KMT2AGAANR3C1PGRNR3C2
SCHEMBL4502201 0.80 L3MBTL1 (0.58) KMT2AGAANR3C1PGRNR3C2
SCHEMBL4502200 0.80 NR3C1 (0.49) MAOBMAOANR3C1PGRNR3C2
SCHEMBL25582101 0.76 POLB (0.51) MAOBMAOAKMT2AGAANR3C1
SCHEMBL27698981 0.75 KEAP1 (0.56) KMT2ANR3C1PGRNR3C2AR
SCHEMBL31668685 0.74 MAPK1 (0.67) MAOBMAOAKMT2AGAATRPV1
SCHEMBL6091339 0.73 NR3C1 (0.57) GAANR3C1PGRNR3C2AR
SCHEMBL30026274 0.73 PDPK1 (0.57) GAANR3C1PGRNR3C2AR
SCHEMBL31456523 0.73 NR3C1 (0.57) GAANR3C1PGRNR3C2AR
SCHEMBL5497010 0.73 PDPK1 (0.57) GAANR3C1PGRNR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250241890-A1 1,4-DIUREAS AND 1,4-DITHIOUREAS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2025-07-31 — — 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 (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-20250241890-A1 1,4-DIUREAS AND 1,4-DITHIOUREAS AND USES THEREOF SNCA, PARK7, SYNCRIP MAOB 1849/4885MAOA 2552/4885KMT2A 4689/4885

“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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