SCHEMBL30926751

SCHEMBL30926751

O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.64
MEN1 O00255 9/20 0.64
ALDH1A1 P00352 5/20 0.64
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
MAPK1 P28482 2/20 0.64
NR3C1 P04150 2/20 0.62
LMNA P02545 8/20 0.61
TSHR P16473 3/20 0.61
NPC1 O15118 1/20 0.61
HTT P42858 5/20 0.59
USP2 O75604 1/20 0.59
RORC P51449 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 5/20 0.57
TDP1 Q9NUW8 3/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL27179417 1.00 KMT2A (0.64) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10187017 0.85 NR3C1 (0.81) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30926728 0.84 SMN1; SMN2 (0.74) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL27179715 0.84 SMN1; SMN2 (0.74) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL662400 0.83 L3MBTL1 (0.70) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29978195 0.83 L3MBTL1 (0.70) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30926609 0.82 KMT2A (0.70) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL27180717 0.82 KMT2A (0.70) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL665117 0.82 MAPT (0.75) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL664662 0.79 RORC (0.64) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 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-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS APEH, ARSA, DNPEP KMT2A 2544/4885MEN1 4795/4885ALDH1A1 1085/4885

“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.