Sugi Predict

Sugi Predict / Compounds / SCHEMBL534446

SCHEMBL534446

SCHEMBL534446

N#CC(Br)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.60
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ ALPG P10696 2/20 0.46
▸ HPGD P15428 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ IDO1 P14902 2/20 0.38
▸ TDO2 P48775 2/20 0.38
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33

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
SCHEMBL4066426 0.78 TRPA1 (0.62) TRPA1LMNAALDH1A1HPGDHTT
SCHEMBL9501885 0.76 TRPA1 (0.60) TRPA1LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL7252442 0.75 LMNA (0.48) LMNASMN1; SMN2ALDH1A1ALPGHPGD
Bromo Benzyl Cyanide SCHEMBL27315132 0.75 TRPA1 (1.00) TRPA1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL1508006 0.75 ALDH1A1 (0.70) LMNASMN1; SMN2ALDH1A1ALPGHPGD
Bromo Benzyl Cyanide SCHEMBL437646 0.75 TRPA1 (1.00) TRPA1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL28241554 0.74 TRPA1 (0.57) TRPA1LMNASMN1; SMN2ALDH1A1HPGD
Bromo Benzyl Cyanide SCHEMBL11220656 0.73 TRPA1 (0.95) TRPA1LMNASMN1; SMN2ALDH1A1HPGD
Bromo Benzyl Cyanide SCHEMBL30600116 0.73 TRPA1 (0.95) TRPA1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL7958219 0.73 LMNA (0.47) LMNASMN1; SMN2ALDH1A1ALPGHPGD

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-4021901-B1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2025-09-24 — — EP disclosed
US-20250120980-A1 DIBENZODIAZEPINE COMPOUNDS AND USE IN INTERFERON ACTIVATOR PROTEIN AGONISTS THEREOF HEBEI GRANDIOS PHARMA CO, LTD. (CN) 2025-04-17 — — US disclosed
US-20240400563-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2024-12-05 — — US disclosed
CN-114302884-B Substituted pyridopyrimidinone compounds useful as T cell activators 百时美施贵宝公司 2024-06-04 — — CN disclosed
CN-117402116-A Process for the preparation of dibenzoazepine compounds and their use as interferon activator protein agonists 河北中科金辉药业有限公司 2024-01-16 — — CN disclosed
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-18 — — US disclosed
US-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators SYNGENE INTERNATIONAL LIMITED (IN) 2023-02-21 — — US disclosed
EP-4021901-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS Bristol-Myers Squibb Company (US) 2022-07-06 — — EP disclosed
CN-114302884-A Substituted pyridopyrimidinone based compounds useful as T cell activators 百时美施贵宝公司 2022-04-08 — — CN disclosed
WO-2021041588-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-04 — — WO disclosed
CN-106342817-A Fungicidal pyrazole mixtures 纳幕尔杜邦公司 2017-01-25 — — CN disclosed
CN-103140136-B9 Fungicidal pyrazoles and mixtures thereof 杜邦公司 2016-06-29 — — CN disclosed
CN-103140136-B fungicidal pyrazoles and mixtures thereof DUPONT (US) 2016-05-11 — — CN disclosed
CN-105308025-A Solid forms of fungicidal pyrazoles DU PONT 2016-02-03 — — CN disclosed
CN-104394693-A Fungicidal pyrazole mixtures DU PONT 2015-03-04 — — CN disclosed
CN-103140136-A Fungicidal pyrazoles and mixtures thereof DU PONT 2013-06-05 — — CN disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 — — US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 — — EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 — — WO disclosed
US-4238611-A Polysubstituted derivatives of 10-piperazinodibenzo (b,f) thiepine SPOFA, UNITED PHARMACEUTICAL WORKS (CS) 1980-12-09 — — US 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 (5 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-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators DGKZ, DGKA, DGKG TRPA1 2878/4885LMNA 2876/4885SMN1; SMN2 4419/4885
US-20240400563-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG TRPA1 2878/4885LMNA 2876/4885SMN1; SMN2 4419/4885
US-20250120980-A1 DIBENZODIAZEPINE COMPOUNDS AND USE IN INTERFERON ACTIVATOR PROTEIN AGONISTS THEREOF STING1, IRF3, IFNAR1 TRPA1 118/4885LMNA 3375/4885SMN1; SMN2 3550/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 TRPA1 3160/4885LMNA 1880/4885SMN1; SMN2 4604/4885
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG TRPA1 2452/4885LMNA 2552/4885SMN1; SMN2 4517/4885

“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.