SCHEMBL30828581

SCHEMBL30828581

O=S(=O)(Nc1ccncc1)c1ccc(-c2ccc(S(=O)(=O)Nc3ccncc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.73
KMT2A Q03164 6/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
PSEN1 P49768 1/20 0.63
PSEN2 P49810 1/20 0.63
APH1B Q8WW43 1/20 0.63
NCSTN Q92542 1/20 0.63
APH1A Q96BI3 1/20 0.63
PSENEN Q9NZ42 1/20 0.63
UQCRB P14927 2/20 0.59
MEN1 O00255 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 2/20 0.56
USP2 O75604 1/20 0.56
UCHL1 P09936 1/20 0.56
HTT P42858 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL11882161 0.85 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1CYP3A4MEN1
SCHEMBL9207324 0.85 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1CYP3A4CYP2D6
SCHEMBL14985582 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL1990223 0.84 KEAP1 (0.73) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL16529326 0.81 CYP3A4 (0.56) ALDH1A1KMT2AL3MBTL1CYP3A4CYP2D6
SCHEMBL12042479 0.80 ALDH1A1 (0.76) ALDH1A1KMT2AL3MBTL1CYP3A4UQCRB
SCHEMBL5457170 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL5787822 0.80 KMT2A (0.71) ALDH1A1KMT2AL3MBTL1CYP3A4CYP2D6
SCHEMBL5465775 0.80 KMT2A (0.71) ALDH1A1KMT2AL3MBTL1CYP3A4CYP2D6
SCHEMBL12228073 0.80 KMT2A (1.00) ALDH1A1KMT2AL3MBTL1CYP3A4CYP2D6

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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 ALDH1A1 2841/4885KMT2A 1571/4885L3MBTL1 2234/4885

“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.