Sugi Predict

Sugi Predict / Compounds / SCHEMBL602087

SCHEMBL602087

SCHEMBL602087

O=[N+]([O-])c1cc(Br)cc(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ ESPL1 Q14674 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL29735419 1.00 ACP1 (0.42) ACP1CYP19A1ALDH1A1CYP3A4ALOX5
SCHEMBL2682001 0.87 CYP19A1 (0.54) CYP19A1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL629543 0.87 CYP19A1 (0.48) CYP19A1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL8999979 0.82 ACP1 (0.41) ACP1CYP19A1ALDH1A1CYP3A4ALOX5
SCHEMBL31434425 0.82 ACP1 (0.44) ACP1CYP19A1ALDH1A1CYP3A4ALOX5
SCHEMBL600500 0.82 ACP1 (0.44) ACP1CYP19A1ALDH1A1CYP3A4ALOX5
SCHEMBL12671464 0.82 TSHR (0.55) ACP1CYP19A1ALDH1A1CYP3A4ALOX5
SCHEMBL8570170 0.82 HTT (0.48) ACP1CYP19A1ALDH1A1CYP3A4ALOX5
SCHEMBL28421376 0.81 ACP1 (0.43) ACP1CYP19A1ALDH1A1CYP3A4ALOX5
SCHEMBL219410 0.80 CYP19A1 (0.55) ACP1CYP19A1ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124428-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2024-04-18 — — US disclosed
EP-4263520-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2023-10-25 — — EP disclosed
WO-2022133529-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2022-06-30 — — WO disclosed
WO-2019189766-A1 NOVEL BIARYL AMIDE DERIVATIVE 持田製薬株式会社 2019-10-03 — — WO disclosed
EP-2419428-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2015-05-13 — — EP disclosed
US-8722687-B2 Imidazo [1,2-A]pyridine derivatives as FGFR kinase inhibitors for use in therapy ASTEX THERAPEUTICS LTD (GB) 2014-05-13 — — US disclosed
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
EP-2419428-A1 IMIDAZO [1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY Astex Therapeutics Ltd. (GB) 2012-02-22 — — EP disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 — — US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 — — US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 — — US disclosed
WO-2007047431-A2 SULFONYL-SUBSTITUTED ARYL COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS KALYPSYS, INC. (US) 2007-04-26 — — WO disclosed
EP-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 — — EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 — — WO disclosed
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC. (US) 2005-10-20 — — US disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 — — US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 — — US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 — — EP 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-20240124428-A1 HETEROCYCLIC INHIBITORS OF PCSK9 PCSK9, PCSK7, PCSK6 ACP1 609/4885CYP19A1 626/4885ALDH1A1 3487/4885
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD ACP1 2687/4885CYP19A1 469/4885ALDH1A1 883/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 ACP1 4790/4885CYP19A1 1449/4885ALDH1A1 972/4885

“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.