Sugi Predict

Sugi Predict / Compounds / SCHEMBL58096

SCHEMBL58096

SCHEMBL58096

Nc1c(F)cc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ DGAT1 O75907 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM1A O60341 4/20 0.35
▸ KDM1B Q8NB78 2/20 0.35
▸ CA3 P07451 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ADRB2 P07550 3/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1639935 0.86 CA1 (0.54) HDAC1HDAC6CA1CA2CA9
SCHEMBL231997 0.86 CA1 (0.39) HDAC1HDAC6CA1CA2CA9
SCHEMBL31441248 0.86 CA1 (0.39) HDAC1HDAC6CA1CA2CA9
SCHEMBL5346206 0.82 CYP3A4 (0.40) HDAC1HDAC6CA1CA2CA9
SCHEMBL406756 0.82 CA1 (0.48) HDAC1HDAC6CA1CA2CA9
SCHEMBL1100748 0.82 CA1 (0.48) HDAC1HDAC6CA1CA2CA9
SCHEMBL15174010 0.82 CA9 (0.41) HDAC1HDAC6CA1CA2CA9
SCHEMBL27779904 0.82 CA1 (0.36) HDAC1HDAC6CA1CA2CA9
SCHEMBL1093928 0.78 KIF11 (0.37) HDAC1HDAC6CA1CA2CA9
SCHEMBL19250640 0.78 LOXL2 (0.36) HDAC1HDAC6CA1CA2CA9

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 965 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954659-A Preparation method of arbeli intermediate 昊宏(齐河)医药科技有限公司 2025-05-09 — — CN claimed
CN-119874533-A Synthesis method of 3, 5-difluoro-4-amino-4' -iodobiphenyl 联化昂健医药科技(上海)有限公司 2025-04-25 — — CN claimed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 — — CN claimed
WO-2025056077-A1 SURFACE-MODIFIED OXIDE SOLID ELECTROLYTE POWDER, COMPOSITE SOLID ELECTROLYTE, AND PREPARATION METHOD THEREFOR 有研稀土高技术有限公司 2025-03-20 — — WO claimed
CN-119462691-A Quinoline acridine-5, 9-diketone MR-TADF red light luminescent material and preparation method and application thereof 常州大学 2025-02-18 — — CN claimed
CN-118420612-A Target protein degradation compound based on CDK4/6 inhibitor and preparation method and application thereof 沈阳药科大学 2024-08-02 — — CN claimed
CN-117534537-A 3, 5-difluoro-4- (trifluoromethyl) bromobenzene and preparation method thereof 上海药克生物科技有限公司 2024-02-09 — — CN claimed
CN-117410548-A Surface-modified oxide solid electrolyte powder, composite solid electrolyte and preparation method thereof 有研稀土高技术有限公司 2024-01-16 — — CN claimed
CN-116253612-A One-pot method for preparing 3,4, 5-trifluoro-bromobenzene 江苏乾元生物科技有限公司 2023-06-13 — — CN claimed
CN-113811174-B Transparent protective film for resisting high-power electromagnetic waves and production method thereof 齐盛时代(广州)科技有限公司 2022-03-11 — — CN claimed
CN-102574800-B Method for producing 2- [ (3, 5-difluoro-3 '-methoxy-1, 1' -biphenyl-4-yl) amino ] nicotinic acid ALMIRALL SA 2014-09-17 — — CN claimed
CN-103936668-A Process for manufacturing 2-[(3,5-difluoro-3'-methoxy-1,1'-biphenyl-4-yl)amino]nicotinic acid ALMIRALL SA 2014-07-23 — — CN claimed
EP-2488497-B1 PROCESS FOR MANUFACTURING 2-[(3,5-DIFLUORO-3'-METHOXY-1,1'-BIPHENYL-4-YL)AMINO]NICOTINIC ACID ALMIRALL SA (ES) 2014-03-12 — — EP claimed
US-8598363-B2 Process for manufacturing 2-[(3,5-difluoro-3′-methoxy-1,1′biphenyl-4-yl)amino]nicotinic acid ALMIRALL, S.A. (ES) 2013-12-03 — — US claimed
US-20120245359-A1 PROCESS FOR MANUFACTURING 2-[(3,5-DIFLUORO-3'-METHOXY-1,1'-BIPHENYL-4 YL)AMINO]NICOTINIC ACID ALMIRALL, S.A. (ES) 2012-09-27 — — US claimed
EP-2488497-A1 PROCESS FOR MANUFACTURING 2-[(3,5-DIFLUORO-3'-METHOXY-1,1'-BIPHENYL-4-YL)AMINO]NICOTINIC ACID Almirall S.A. (ES) 2012-08-22 — — EP claimed
CN-102574800-A Method for producing 2- [ (3, 5-difluoro-3 '-methoxy-1, 1' -biphenyl-4-yl) amino ] nicotinic acid ALMIRALL SA 2012-07-11 — — CN claimed
EP-2314577-A1 Process for manufacturing 2-[(3,5-difluoro-3'-methoxy-1,1'-biphenyl-4-yl)amino]nicotinic acid Almirall, S.A. (ES) 2011-04-27 — — EP claimed
WO-2011045059-A1 PROCESS FOR MANUFACTURING 2-[(3,5-DIFLUORO-3'-METHOXY-1,1'-BIPHENYL-4-YL)AMINO]NICOTINIC ACID ALMIRALL, S.A. (ES) 2011-04-21 — — WO claimed
US-4883609-A LIQUID CRYSTALS SEIKO EPSON CORPORATION (JP) 1989-11-28 — — US claimed

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-20120245359-A1 PROCESS FOR MANUFACTURING 2-[(3,5-DIFLUORO-3'-METHOXY-1,1'-BIPHENYL-4 YL)AMINO]NICOTINIC ACID GART, NAPRT, NNMT HDAC1 4682/4885HDAC6 3861/4885CA1 4395/4885

“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.