SCHEMBL30927043

SCHEMBL30927043

O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 9/20 0.69
▸ MAPT P10636 9/20 0.69
▸ SMN1; SMN2 Q16637 6/20 0.69
▸ NPC1 O15118 4/20 0.69
▸ RAB9A P51151 4/20 0.69
▸ SETD7 Q8WTS6 1/20 0.61
▸ MEN1 O00255 7/20 0.60
▸ KMT2A Q03164 7/20 0.60
▸ BAZ1A Q9NRL2 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.57
▸ POLB P06746 1/20 0.57
▸ MAPK1 P28482 3/20 0.56
▸ USP2 O75604 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ HPGD P15428 1/20 0.55
▸ HTT P42858 2/20 0.53
▸ MAOB P27338 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
SCHEMBL27179757 1.00 LMNA (0.69) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27180114 0.85 MAPT (0.69) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27179730 0.85 MAPT (0.72) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27180063 0.83 MEN1 (0.82) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27180787 0.83 MEN1 (0.67) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27179777 0.83 MAPT (0.67) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27180446 0.83 MEN1 (0.62) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16620958 0.83 RAB9A (1.00) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30926692 0.76 MAPT (0.85) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27181452 0.76 MAPT (0.85) LMNAMAPTSMN1; SMN2NPC1RAB9A

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 LMNA 4774/4885MAPT 4236/4885SMN1; SMN2 3468/4885

“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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