SCHEMBL31318280

SCHEMBL31318280

O=C1NC(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.48
CYP2C9 P11712 2/20 0.41
CACNA1F O60840 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
SCN1A P35498 1/20 0.41
SCN4A P35499 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
AKR1B1 P15121 2/20 0.39
MMP2 P08253 1/20 0.36

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
Thiophenytoin SCHEMBL1685397 0.80 CYP2C9 (0.64) CNR1CYP2C9CACNA1FALDH1A1MAPT
SCHEMBL27224364 0.80 CYP2C9 (0.64) CNR1CYP2C9CACNA1FALDH1A1MAPT
SCHEMBL10521989 0.74 CYP2C9 (0.79) CNR1CYP2C9CACNA1FALDH1A1MAPT
SCHEMBL6135313 0.61 LMNA (0.51) CNR1CYP2C9CACNA1FALDH1A1MAPT
SCHEMBL7537095 0.61 CNR1 (0.54) CNR1
SCHEMBL3660535 0.60 CYP2C9 (0.64) CYP2C9CACNA1FALDH1A1MAPTHTR2A
SCHEMBL10521481 0.60 CYP2C9 (0.64) CYP2C9CACNA1FALDH1A1MAPTHTR2A
SCHEMBL15693110 0.58 TAAR1 (0.42) CNR1ALDH1A1
SCHEMBL3412312 0.58 ADAM17 (0.44) CNR1MMP2
SCHEMBL7900340 0.58 ADAM17 (0.41) CNR1MMP2

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-12180169-B1 4-[4,4-bis(4-bromophenyl)-5-oxo-2-thioxoimidazolidin-1-yl]butanoic acid as an antimicrobial compound King Faisal University (SA) 2024-12-31 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-12180169-B1 4-[4,4-bis(4-bromophenyl)-5-oxo-2-thioxoimidazolidin-1-yl]butanoic acid as an antimicrobial compound TLR4, CASP4, IL4 CNR1 3988/4885CYP2C9 1278/4885CACNA1F 2702/4885

“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.