Sugi Predict

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SCHEMBL5434962

SCHEMBL5434962

O=S(=O)(c1cccc(Br)c1)N1CCC(N2COCc3cc(Br)ccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MBTD1 Q05BQ5 1/20 0.57
▸ L3MBTL3 Q96JM7 1/20 0.57
▸ HPGD P15428 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ CHRM1 P11229 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GPR183 P32249 1/20 0.37

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
SCHEMBL5419974 0.92 MBTD1 (0.47) MBTD1L3MBTL3HPGDALDH1A1MEN1
SCHEMBL5422614 0.92 MBTD1 (0.47) MBTD1L3MBTL3HPGDALDH1A1MEN1
SCHEMBL5421773 0.92 MBTD1 (0.53) MBTD1L3MBTL3HPGDALDH1A1MEN1
SCHEMBL5421020 0.92 MBTD1 (0.53) MBTD1L3MBTL3HPGDALDH1A1MEN1
SCHEMBL5428055 0.90 MBTD1 (0.43) MBTD1L3MBTL3HPGDALDH1A1MAPT
SCHEMBL5426230 0.89 LMNA (0.50) MBTD1L3MBTL3ALDH1A1MEN1KMT2A
SCHEMBL5785791 0.86 ATM (0.41) MBTD1L3MBTL3HPGDMEN1KMT2A
SCHEMBL5430856 0.86 KDM4E (0.44) MBTD1L3MBTL3ALDH1A1SMN1; SMN2LMNA
SCHEMBL5423710 0.86 ALDH1A1 (0.47) MBTD1L3MBTL3ALDH1A1MEN1KMT2A
SCHEMBL5419801 0.84 CCR1 (0.42) MBTD1L3MBTL3HPGDCHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 — — US claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 — — EP claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 — — WO claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 — — US disclosed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 — — EP disclosed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 — — 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-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 MBTD1 1365/4885L3MBTL3 4883/4885HPGD 748/4885

“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.