Sugi Predict

Sugi Predict / Compounds / SCHEMBL2109571

SCHEMBL2109571

SCHEMBL2109571

O=C(O)c1cc(F)c(Br)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.48
▸ NFE2L2 Q16236 1/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA13 Q8N1Q1 1/20 0.46
▸ CISD1 Q9NZ45 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CASP1 P29466 1/20 0.44

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
SCHEMBL1552250 0.92 CA12 (0.46) KEAP1NFE2L2CA12CA1CA2
SCHEMBL30577298 0.92 CA12 (0.46) KEAP1NFE2L2CA12CA1CA2
SCHEMBL8845822 0.84 KEAP1 (0.48) KEAP1NFE2L2CA12CA1CA2
SCHEMBL2366229 0.84 KDM1A (0.43) KEAP1NFE2L2ALDH1A1TSHRSMN1; SMN2
SCHEMBL24697741 0.83 KEAP1 (0.45) KEAP1NFE2L2CA12CA1CA2
SCHEMBL979056 0.83 KEAP1 (0.55) KEAP1NFE2L2CA12CA1CA2
SCHEMBL32668944 0.83 KEAP1 (0.55) KEAP1NFE2L2CA12CA1CA2
SCHEMBL2478225 0.82 CA12 (0.49) KEAP1NFE2L2CA12CA1CA2
SCHEMBL23301697 0.82 POLB (0.42) KEAP1NFE2L2TSHRSMN1; SMN2PLAU
SCHEMBL23783264 0.81 CA12 (0.50) CA12CA1CA2CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368173-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-11-07 — — US disclosed
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2024-10-10 — — US disclosed
EP-4419203-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-08-28 — — EP disclosed
CN-118451080-A Tricyclic GPR65 modulators 帕蒂奥斯治疗有限公司 2024-08-06 — — CN disclosed
EP-4368618-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2024-05-15 — — EP disclosed
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 — — CN disclosed
CN-111212830-B N- (substituted sulfonyl) benzamide derivative and preparation method and medical application thereof 浙江海正药业股份有限公司 2023-07-04 — — CN disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 — — EP disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 — — WO disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 — — WO disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 — — EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 — — WO disclosed
CN-101296898-A Histamine-3 receptor antagonists PFIZER PROD INC (US) 2008-10-29 — — CN disclosed
EP-1951660-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-08-06 — — EP disclosed
US-20080096955-A1 Cis-3-(3-fluoro-4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanecaboxylic acid dimethylamide; for treatment of disorders or conditions that may be treated by antagonizing histamine-3 (H3) receptors; Alzheimer disease, mood and cognitive disorders, attention deficit hyperactive disorder, schizophrenia PFIZER INC 2008-04-24 — — US disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 — — WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 — — US disclosed
WO-2007049123-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-05-03 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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 (4 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-20240368173-A1 TRICYCLIC GPR65 MODULATORS GPR65, GPR3, NR1H2 KEAP1 1418/4885NFE2L2 1453/4885CA12 1990/4885
US-20080096955-A1 Cis-3-(3-fluoro-4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanecaboxylic acid dimethylamide; for treatment of disorders or conditions that may be treated by antagonizing histamine-3 (H3) receptors; Alzheimer disease, mood and cognitive disorders, attention deficit hyperactive disorder, schizophrenia HRH3, HRH4, HRH2 KEAP1 2259/4885NFE2L2 2768/4885CA12 2764/4885
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF MALT1, CYP51A1, BCR KEAP1 1119/4885NFE2L2 2173/4885CA12 3716/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 KEAP1 611/4885NFE2L2 837/4885CA12 2391/4885

“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.