Sugi Predict

Sugi Predict / Compounds / SCHEMBL553450

SCHEMBL553450

SCHEMBL553450

COC(=O)c1cccc2c1N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NOTUM Q6P988 2/20 0.41
▸ NR1H2 P55055 2/20 0.40
▸ PRMT5 O14744 3/20 0.40
▸ WDR77 Q9BQA1 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ESR2 Q92731 1/20 0.39
▸ UCHL1 P09936 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR7 P34969 1/20 0.37

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
SCHEMBL30195056 1.00 HDAC1 (0.42) HDAC1HDAC6NOTUMNR1H2PRMT5
SCHEMBL4666060 0.92 NOTUM (0.43) HDAC1HDAC6NOTUMNR1H2PRMT5
SCHEMBL2109995 0.87 NOTUM (0.46) NOTUMNR1H2PRMT5WDR77ALDH1A1
SCHEMBL10211390 0.87 NOTUM (0.46) NOTUMNR1H2PRMT5WDR77ALDH1A1
SCHEMBL619483 0.86 MEN1 (0.48) NOTUMMEN1KMT2AALDH1A1
SCHEMBL5016207 0.82 NOTUM (0.46) NOTUMPRMT5WDR77MEN1KMT2A
SCHEMBL1270489 0.81 PTGER4 (0.52) HDAC1HDAC6
SCHEMBL3902271 0.81 CNR2 (0.52) NOTUMNR1H2ALDH1A1ESR2UCHL1
SCHEMBL23293654 0.80 NR1H2 (0.46) NOTUMNR1H2PRMT5WDR77MEN1
SCHEMBL16123405 0.80 UCHL1 (0.51) NOTUMNR1H2PRMT5WDR77MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820194-A Preparation method of indole-7-methyl formate 常州琦诺生物科技有限公司 2024-04-05 — — CN claimed
CN-117820194-A Preparation method of indole-7-methyl formate 常州琦诺生物科技有限公司 2024-04-05 — — CN disclosed
EP-3670515-B1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2024-03-06 — — EP disclosed
US-20230025807-A1 CD38 INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2023-01-26 — — US disclosed
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 — — EP disclosed
WO-2021087087-A1 N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS MITOBRIDGE INC. (US) 2021-05-06 — — WO disclosed
WO-2021087087-A1 N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS MITOBRIDGE INC. (US) 2021-05-06 — — WO disclosed
EP-3738964-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2020-11-18 — — EP disclosed
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 — — US disclosed
EP-3670515-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2020-06-24 — — EP disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 — — US disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 — — US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 — — US disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 — — US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 — — US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 — — US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 — — US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 — — US disclosed
EP-1703905-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-27 — — EP disclosed
WO-2005067923-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-28 — — 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 (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-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA HDAC1 1471/4885HDAC6 1585/4885NOTUM 1749/4885
US-20230025807-A1 CD38 INHIBITORS CD38, GLS, IDH2 HDAC1 377/4885HDAC6 469/4885NOTUM 3115/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 HDAC1 3798/4885HDAC6 1626/4885NOTUM 4489/4885
US-20070254873-A1 Chemical Compounds IKBKG, NFKBIA, RELA HDAC1 1690/4885HDAC6 873/4885NOTUM 1166/4885
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors NFKBIA, IKBKB, IDO2 HDAC1 717/4885HDAC6 1002/4885NOTUM 3076/4885

“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.