Sugi Predict

Sugi Predict / Compounds / SCHEMBL324038

SCHEMBL324038

SCHEMBL324038

O=C(O)CCn1ncc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 6/20 1.00
▸ RECQL P46063 2/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ EGLN3 Q9H6Z9 2/20 0.54
▸ DAO P14920 1/20 0.49
▸ FABP3 P05413 1/20 0.49
▸ FABP4 P15090 1/20 0.49
▸ FABP5 Q01469 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ APEX1 P27695 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46

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
SCHEMBL31427168 1.00 KMO (1.00) KMORECQLCYP1A2EGLN3DAO
SCHEMBL22965232 0.90 KMO (0.82) KMORECQLCYP1A2DAOFABP4
SCHEMBL8889255 0.85 KMO (0.74) KMORECQLCYP1A2DAOPOLB
SCHEMBL29544889 0.83 KMO (0.71) KMORECQLCYP1A2DAOPOLB
SCHEMBL3374171 0.83 KMO (0.71) KMORECQLCYP1A2DAOPOLB
SCHEMBL27777613 0.82 KMO (0.69) KMORECQLCYP1A2DAOPOLB
SCHEMBL22572429 0.81 KMO (0.68) KMORECQLCYP1A2DAOPOLB
SCHEMBL28736790 0.81 KMO (0.68) KMORECQLCYP1A2DAOPOLB
SCHEMBL20083689 0.80 KMO (0.66) KMORECQLCYP1A2DAOPOLB
SCHEMBL8768108 0.79 KMO (0.65) KMORECQLCYP1A2DAOPOLB

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
CN-112979672-B 11, 20-dicarbonyl oridonin 14-O esterified series derivatives and application thereof 郑州大学 2022-03-11 — — CN claimed
CN-112979672-A 11, 20-dicarbonyl oridonin 14-O esterified series derivatives and application thereof 郑州大学 2021-06-18 — — CN claimed
EP-2697203-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corporation (US) 2014-02-19 — — EP claimed
WO-2012139495-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-10-18 — — WO claimed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 — — EP disclosed
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC 2024-08-29 — — US disclosed
CN-117304130-A MCL-1 inhibitors 吉利德科学公司 2023-12-29 — — CN disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
CN-112118845-B MCL-1 inhibitors 吉利德科学公司 2023-06-13 — — CN disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 — — US disclosed
US-20220340535-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2022-10-27 — — US disclosed
EP-4029868-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. (US) 2022-07-20 — — EP disclosed
US-6849643-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-01 — — US disclosed
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2005-01-06 — — US disclosed
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2004-12-23 — — US disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 — — US disclosed
CN-1489586-A Indazolyl-substituted pyrroline compounds as kinase inhibitor ����-������ҩƷ��˾ 2004-04-14 — — CN disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 — — EP disclosed
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-20 — — US disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 — — 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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KMO 4601/4885RECQL 1350/4885CYP1A2 4744/4885
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 KMO 898/4885RECQL 2307/4885CYP1A2 3809/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KMO 4601/4885RECQL 1350/4885CYP1A2 4744/4885
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY TNF, TNFRSF1A, CD40 KMO 3375/4885RECQL 3469/4885CYP1A2 3970/4885
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 KMO 898/4885RECQL 2307/4885CYP1A2 3809/4885
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 KMO 1272/4885RECQL 2363/4885CYP1A2 4254/4885
US-20220340535-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KMO 4601/4885RECQL 1350/4885CYP1A2 4744/4885

“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.