Sugi Predict

Sugi Predict / Compounds / SCHEMBL5496871

SCHEMBL5496871

SCHEMBL5496871

O=[N+]([O-])c1ccc(F)cc1Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.65
▸ L3MBTL1 Q9Y468 4/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ CASP7 P55210 1/20 0.65
▸ EPAS1 Q99814 1/20 0.54
▸ HCAR3 P49019 1/20 0.52
▸ ATM Q13315 1/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ MYC P01106 1/20 0.51
▸ IDO1 P14902 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ WNK1 Q9H4A3 1/20 0.48

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
SCHEMBL30378593 0.90 ALDH1A1 (0.59) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL2508268 0.90 ALDH1A1 (0.59) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL2508753 0.89 EPAS1 (0.52) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL1337893 0.87 L3MBTL1 (0.68) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL2507274 0.85 EPAS1 (0.58) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL28738890 0.84 EPAS1 (0.55) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL11901468 0.84 HTT (0.61) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL16634661 0.84 HCAR3 (0.57) TDP1ALDH1A1HCAR3MEN1KMT2A
SCHEMBL16634663 0.84 HCAR3 (0.57) TDP1ALDH1A1HCAR3MEN1KMT2A
SCHEMBL2501948 0.83 ALDH1A1 (0.56) TDP1L3MBTL1ALDH1A1MAPK1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4538270-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Sapiensbio Inc. (KR) 2025-04-16 — — EP disclosed
US-20250002464-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SAPIENSBIO INC. (KR) 2025-01-02 — — US disclosed
EP-4421070-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Sapiensbio Inc. (KR) 2024-08-28 — — EP disclosed
CN-118119612-A Novel compounds and pharmaceutical compositions comprising the same 萨皮恩斯生物有限公司 2024-05-31 — — CN disclosed
WO-2023239227-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 사피엔스바이오 2023-12-14 — — WO disclosed
CN-105601570-A Compound containing heterocyclic ligand and preparation method and application thereof JILIN OPTICAL & ELECTRONIC MATERIALS CO LTD 2016-05-25 — — CN disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 — — EP disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
EP-1789050-A1 NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2007-05-30 — — EP disclosed
WO-2006016278-A1 NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2006-02-16 — — WO disclosed
US-20060030566-A1 Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY, LLC 2006-02-09 — — US disclosed
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 — — EP disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 — — US disclosed
EP-0623118-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO S.p.A. (IT) 1994-11-09 — — EP disclosed
WO-1993014075-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 — — 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 (3 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-20060030566-A1 Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 TDP1 1150/4885L3MBTL1 3304/4885ALDH1A1 612/4885
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 TDP1 2020/4885L3MBTL1 4139/4885ALDH1A1 1680/4885
US-20250002464-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME RHOA, ACTR2, MFAP1 TDP1 4637/4885L3MBTL1 4790/4885ALDH1A1 2159/4885

“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.