SCHEMBL31350802

SCHEMBL31350802

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.76
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
CYP3A4 P08684 3/20 0.58
USP2 O75604 2/20 0.58
CYP2C9 P11712 2/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CACNA1A O00555 1/20 0.54
CACNA2D1 P54289 1/20 0.54
CACNA1B Q00975 1/20 0.54
CACNB1 Q02641 1/20 0.54
CACNA1C Q13936 1/20 0.54
EPHX2 P34913 1/20 0.54
CYP2D6 P10635 1/20 0.53
CYP3A5 P20815 1/20 0.53
ATM Q13315 1/20 0.53
TRPV4 Q9HBA0 1/20 0.52

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
SCHEMBL5251683 0.82 CYP3A4 (0.73) MAOAMEN1KMT2ACYP3A4USP2
SCHEMBL3622047 0.81 CYP3A4 (0.76) MAOAMEN1KMT2ACYP3A4USP2
SCHEMBL3619665 0.78 CYP3A4 (0.80) MAOAMEN1KMT2ACYP3A4USP2
SCHEMBL15009887 0.76 ALDH1A1 (0.77) MEN1KMT2AUSP2ALDH1A1KDM4E
SCHEMBL4435511 0.76 ALDH1A1 (0.62) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL587788 0.75 CYP3A4 (0.68) MAOAMEN1KMT2ACYP3A4USP2
SCHEMBL31646967 0.75 ALDH1A1 (0.70) MAOAMEN1KMT2AALDH1A1KDM4E
SCHEMBL26970150 0.75 ALDH1A1 (0.70) MEN1KMT2AUSP2ALDH1A1L3MBTL1
SCHEMBL28254937 0.75 ALDH1A1 (0.74) MEN1KMT2AUSP2ALDH1A1KDM4E
SCHEMBL31350810 0.73 CYP3A4 (0.76) MAOAMEN1KMT2ACYP3A4USP2

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-20250084091-A1 INHIBITORS OF SARS-COV-2 TEXAS A & M UNIV SYS (US) 2025-03-13 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-20250084091-A1 INHIBITORS OF SARS-COV-2 ACE2, ACE, TMPRSS2 MAOA 1116/4885MEN1 4030/4885KMT2A 2278/4885

“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.