SCHEMBL3243204

SCHEMBL3243204

O=C(O)c1cccc2c1NCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
SRC P12931 1/20 0.40
ALOX5 P09917 1/20 0.39
PDPK1 O15530 1/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
GFER P55789 1/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 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
Hydrochloric Acid SCHEMBL30075334 0.98 LIG1 (0.41) LIG1ALDH1A1ALOX15SRCALOX5
SCHEMBL30647012 0.89 SRC (0.51) LIG1ALDH1A1ALOX15SRCALOX5
SCHEMBL1520555 0.89 SRC (0.51) LIG1ALDH1A1ALOX15SRCALOX5
SCHEMBL749668 0.88 SRC (0.47) LIG1ALDH1A1ALOX15SRCGFER
SCHEMBL9667622 0.87 ALDH1A1 (0.45) ALDH1A1ALOX15SRCPDPK1PARP1
SCHEMBL3384116 0.84 SRC (0.39) ALDH1A1SRCPDPK1PARP1PARP10
SCHEMBL6246982 0.84 SRC (0.39) ALDH1A1SRCPDPK1PARP1PARP10
SCHEMBL3384120 0.84 AURKA (0.50) ALDH1A1ALOX15SRCPDPK1PARP1
SCHEMBL10544590 0.83 AKR1C3 (0.46) ALDH1A1PDPK1PARP1PARP10PARP11
SCHEMBL6246983 0.81 SRC (0.36) SRCPDPK1PARP1PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109734703-B Preparation method of indoline-7-carboxylic ester compound 中国科学院兰州化学物理研究所 2021-06-08 CN claimed
WO-2025045835-A1 PESTICIDALLY ACTIVE OXOINDOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-03-06 WO 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
WO-2023275357-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2023-01-05 WO disclosed
EP-4112631-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2023-01-04 EP disclosed
CN-109734703-B Preparation method of indoline-7-carboxylic ester compound 中国科学院兰州化学物理研究所 2021-06-08 CN 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-3388436-B1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2020-08-12 EP disclosed
WO-1994008965-A1 N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO disclosed
EP-0360079-B1 Tricyclic compounds, processes for their preparation and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-02 EP disclosed
US-5248679-A Tricyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-28 US disclosed
CN-1022187-C Method for preparation of tricyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1993-09-22 CN disclosed
US-5155101-A Tricyclic compounds FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-10-13 US disclosed
US-4981847-A Tricyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-01 US disclosed
CN-1040981-A Tricyclic compound FUJISAWA PHARMACEUTICAL CO (JP) 1990-04-04 CN disclosed
EP-0360079-A1 Tricyclic compounds, processes for their preparation and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-03-28 EP disclosed
EP-0239927-A1 Cyclic carbamates NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-10-07 EP disclosed
US-3941806-A ANTIINFLAMMATORY A. H. ROBINS COMPANY (US) 1976-03-02 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 (2 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-20230025807-A1 CD38 INHIBITORS CD38, GLS, IDH2 LIG1 1693/4885ALDH1A1 140/4885ALOX15 1110/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 LIG1 1780/4885ALDH1A1 4309/4885ALOX15 2591/4885

“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.