Sugi Predict

Sugi Predict / Compounds / SCHEMBL596646

SCHEMBL596646

SCHEMBL596646

OCc1ccc2ccccc2c1Br

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ HSD17B10 Q99714 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HPRT1 P00492 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NCEH1 Q6PIU2 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PTPN22 Q9Y2R2 1/20 0.40

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
Acetic Acid SCHEMBL10391565 0.89 POLB (0.47) POLBALDH1A1TDP1RAB9ANPC1
SCHEMBL2012787 0.86 POLB (0.52) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL7388022 0.83 POLB (0.48) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL4698955 0.83 POLB (0.52) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL30274454 0.83 POLB (0.52) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL6403911 0.81 POLB (0.50) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL8904831 0.81 POLB (0.50) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL16414608 0.81 POLB (0.50) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL8850092 0.81 GABRA1 (0.52) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL30640504 0.81 GABRA1 (0.52) POLBHSD17B10ALDH1A1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105541605-A Synthesis method of axially chiral dinaphthalene ligand precursor (s)-2,2'-dinaphthyl-1,1'-dicarboxylic acid UNIV YANGZHOU 2016-05-04 — — CN claimed
US-12187681-B2 Ion channel antagonists/blockers and uses thereof SHANGHAI EAST HOSPITAL (CN) 2025-01-07 — — US disclosed
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 — — US disclosed
CN-114401935-B Ion channel antagonists/blockers and uses thereof 上海市东方医院（同济大学附属东方医院） 2024-04-05 — — CN disclosed
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 — — WO disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 — — US disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 — — US disclosed
CN-114401935-A Ion channel antagonists/blockers and uses thereof 上海市东方医院（同济大学附属东方医院） 2022-04-26 — — CN disclosed
WO-2021114313-A1 ION CHANNEL ANTAGONISTS/BLOCKERS AND USES THEREOF SHANGHAI EAST HOSPITAL (CN) 2021-06-17 — — WO disclosed
WO-2021114313-A1 ION CHANNEL ANTAGONISTS/BLOCKERS AND USES THEREOF SHANGHAI EAST HOSPITAL (CN) 2021-06-17 — — WO disclosed
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 — — US disclosed
WO-2000037433-A1 INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-06-29 — — WO disclosed
US-5919797-A DIAGNOSIS, THERAPY PSYCHOLOGICAL DISORDERS EMORY UNIVERSITY (US) 1999-07-06 — — US disclosed
WO-1997040010-A1 HALOGENATED NAPHTHYL METHOXY PIPERIDINES FOR MAPPING SEROTONIN TRANSPORTER SITES EMORY UNIVERSITY (US) 1997-10-30 — — WO disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 — — WO disclosed
CN-1046528-A As the new naphthalane base-3H-1 of antihyperglycemic agents, 2,3,5-oxygen thia diazole 2-oxide compound AMERICAN HOME PROD (US) 1990-10-31 — — CN disclosed
EP-0393941-A1 Naphthalene derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-24 — — EP disclosed
US-4897405-A Novel naphthalenylalkyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-30 — — US disclosed
US-4276305-A INSECTICIDES, MITICIDES HOFFMANN-LA ROCHE INC. (US) 1981-06-30 — — US disclosed
EP-0014455-A2 Cyclopropane(thiol)carboxylic-acid esters, processes for their preparation, pesticides containing such compounds and the use of such compounds as pesticides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-08-20 — — 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 (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-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA POLB 1045/4885HSD17B10 2904/4885ALDH1A1 3616/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA POLB 1045/4885HSD17B10 2904/4885ALDH1A1 3616/4885
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof CACNA1F, CACNA1S, CACNA1D POLB 3830/4885HSD17B10 1342/4885ALDH1A1 1001/4885
US-12187681-B2 Ion channel antagonists/blockers and uses thereof CACNA1F, CACNA1S, CACNA1D POLB 3830/4885HSD17B10 1342/4885ALDH1A1 1001/4885

“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.