SCHEMBL27179941

SCHEMBL27179941

O=C(Nc1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.64
▸ LMNA P02545 2/20 0.64
▸ CYP11B1 P15538 1/20 0.63
▸ CYP11B2 P19099 1/20 0.63
▸ NAMPT P43490 3/20 0.62
▸ MAPT P10636 3/20 0.61
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ ITGA1 P56199 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ SLC6A3 Q01959 1/20 0.60
▸ PTGS1 P23219 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ ALOX12 P18054 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 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
SCHEMBL30926947 1.00 ALDH1A1 (0.64) ALDH1A1LMNACYP11B1CYP11B2NAMPT
SCHEMBL22633468 0.90 ALDH1A1 (0.72) ALDH1A1NAMPTMAPTMEN1KMT2A
SCHEMBL30926721 0.90 ALDH1A1 (0.72) ALDH1A1NAMPTMAPTMEN1KMT2A
SCHEMBL22650880 0.89 NAMPT (0.79) ALDH1A1LMNANAMPTMAPTMEN1
SCHEMBL27179881 0.88 KMT2A (0.66) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL30926771 0.88 KMT2A (0.66) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL27180089 0.82 MAPT (0.76) ALDH1A1LMNANAMPTMAPTMEN1
SCHEMBL30926701 0.82 MAPT (0.76) ALDH1A1LMNANAMPTMAPTMEN1
SCHEMBL30926790 0.82 MAPT (0.62) ALDH1A1CYP11B1CYP11B2NAMPTMAPT
SCHEMBL27180441 0.82 MAPT (0.62) ALDH1A1CYP11B1CYP11B2NAMPTMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4580404-A2 SULFONAMIDE APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 — — EP claimed
US-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 — — US claimed
WO-2024050041-A2 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 — — WO claimed
US-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 — — US disclosed
WO-2024050041-A2 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 — — WO 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 ALDH1A1 1085/4885LMNA 4774/4885CYP11B1 3296/4885

“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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