Sugi Predict

Sugi Predict / Compounds / SCHEMBL700243

SCHEMBL700243

SCHEMBL700243

O=C(O)C1(c2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C1 Q04828 1/20 0.55
▸ HSD11B1 P28845 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NAPRT Q6XQN6 1/20 0.43
▸ ELOVL1 Q9BW60 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ TET3 O43151 1/20 0.41
▸ FBXL19 Q6PCT2 1/20 0.41
▸ CXXC5 Q7LFL8 1/20 0.41
▸ TET1 Q8NFU7 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ CXXC4 Q9H2H0 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ APP P05067 1/20 0.40
▸ PLOD2 O00469 1/20 0.39
▸ PLOD3 O60568 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
Hydrochloric Acid SCHEMBL23779012 0.98 AKR1C1 (0.53) AKR1C1HSD11B1LMNANPSR1NAPRT
SCHEMBL4827944 0.92 AKR1C1 (0.68) AKR1C1HSD11B1LMNANPSR1NAPRT
SCHEMBL29514621 0.90 AKR1C1 (0.66) AKR1C1HSD11B1LMNANPSR1NAPRT
SCHEMBL2085334 0.87 ALDH1A1 (0.49) AKR1C1HSD11B1LMNANPSR1TSHR
SCHEMBL7338024 0.87 AKR1C1 (0.47) AKR1C1HSD11B1LMNANPSR1NAPRT
Hydrochloric Acid SCHEMBL8356143 0.85 AKR1C1 (0.46) AKR1C1HSD11B1LMNANPSR1ELOVL1
SCHEMBL27942388 0.84 OPRM1 (0.49) AKR1C1HSD11B1KMT2ATET3FBXL19
SCHEMBL5200961 0.81 HSD11B1 (0.46) AKR1C1HSD11B1LMNANPSR1NAPRT
SCHEMBL31016196 0.79 AKR1C1 (0.83) AKR1C1HSD11B1KMT2ATET3FBXL19
SCHEMBL6391 0.79 AKR1C1 (0.83) AKR1C1HSD11B1KMT2ATET3FBXL19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540141-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2026-02-03 — — US disclosed
US-20240336596-A1 PARP7 INHIBITOR AND USE THEREOF NOVOSTAR PHARMACEUTICALS, LTD. (CN) 2024-10-10 — — US disclosed
CN-115785074-B PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2024-05-07 — — CN disclosed
EP-4338737-A1 PARP7 INHIBITOR AND USE THEREOF Novostar Pharmaceuticals, Ltd. (CN) 2024-03-20 — — EP disclosed
WO-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 — — WO disclosed
WO-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 — — WO disclosed
CN-112778299-B Piperazine ureido derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-07-14 — — CN disclosed
US-20230103494-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-04-06 — — US disclosed
CN-115785074-A PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2023-03-14 — — CN disclosed
US-20220363686-A1 NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-11-17 — — US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 — — EP disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 — — WO disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 — — WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 — — US disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 — — WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 — — US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 — — US disclosed
CN-101223140-A Piperidine derivatives useful in the diagnostic and therapeutic treatment of diseases depending on renin activity NOVARTIS AG (CH) 2008-07-16 — — CN disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 — — EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 — — 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 (7 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 AKR1C1 471/4885HSD11B1 823/4885LMNA 2165/4885
US-20240336596-A1 PARP7 INHIBITOR AND USE THEREOF PARP1, PARP3, PARP11 AKR1C1 1166/4885HSD11B1 572/4885LMNA 385/4885
US-20220363686-A1 NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 AKR1C1 3772/4885HSD11B1 2497/4885LMNA 2605/4885
US-20230103494-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN AKR1C1 103/4885HSD11B1 55/4885LMNA 3799/4885
US-12540141-B2 Spiropyrrolidine derived antiviral agents ACE2, NR3C2, ACE AKR1C1 130/4885HSD11B1 20/4885LMNA 1842/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 AKR1C1 444/4885HSD11B1 2456/4885LMNA 3920/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R AKR1C1 429/4885HSD11B1 615/4885LMNA 3754/4885

“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.