SCHEMBL523291

SCHEMBL523291

CCOC(=O)CNCc1ccc(OC)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.63
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.50
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL28123612 0.90 APLNR (0.60) APLNRHDAC3HDAC1HDAC2HDAC8
SCHEMBL1269158 0.89 APLNR (0.71) APLNRHDAC3HDAC1HDAC2HDAC8
SCHEMBL2225000 0.87 APLNR (0.60) APLNRHDAC3HDAC1HDAC2HDAC8
SCHEMBL27702847 0.87 CNR1 (0.51) APLNRMEN1KMT2AALDH1A1POLB
SCHEMBL14957586 0.85 APLNR (0.57) APLNRHDAC3HDAC1HDAC2HDAC8
SCHEMBL6866453 0.83 APLNR (0.71) APLNRHDAC3HDAC1HDAC2HDAC8
SCHEMBL30482840 0.81 ALDH1A1 (0.53) APLNRMEN1KMT2AALDH1A1POLB
SCHEMBL21455751 0.81 ALDH1A1 (0.53) APLNRMEN1KMT2AALDH1A1POLB
SCHEMBL23888458 0.80 APLNR (0.50) APLNRHDAC3HDAC1HDAC2HDAC8
SCHEMBL28318209 0.79 APLNR (0.80) APLNRHDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024525-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2024-07-02 US disclosed
US-12024525-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2024-07-02 US disclosed
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. 2023-11-16 US disclosed
EP-4211140-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER Schrödinger, Inc. (US) 2023-07-19 EP disclosed
EP-3555100-B1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO INC (US) 2023-05-10 EP disclosed
US-20230134844-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. 2023-05-04 US disclosed
US-20230134844-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. 2023-05-04 US disclosed
CN-115485276-A Deuterated AKT kinase inhibitors 南京正大天晴制药有限公司 2022-12-16 CN disclosed
US-20220144821-A1 AKT INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2022-05-12 US disclosed
US-11312721-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2022-04-26 US disclosed
US-20060217416-A1 Antihypoxic agents; adjust concentration of erythropoietin concentration in blood; strokes; antiepileptic agents; neurodegenerative disease ; liver disorders; antiischemic agents FIBROGEN, INC. 2006-09-28 US disclosed
WO-2006094292-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2006-09-08 WO disclosed
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof FIBROGEN, INC. 2006-09-07 US disclosed
EP-1644336-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2006-04-12 EP disclosed
US-20040254215-A1 Adjust concentration of erythropoietin in blood; strokes; antiepileptic agents; liver disorders; antiulcer agents; central nervous system disorders FIBROGEN, INC. 2004-12-16 US disclosed
WO-2004108681-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2004-12-16 WO disclosed
EP-0245053-B1 HETEROCYCLIC FUSED TRICYCLIC COMPOUNDS ICI AMERICAS INC. (US) 1992-11-25 EP disclosed
US-5118688-A TETRAHYDROPYRIDOQUINOLONE DERIVATIVES USEFUL AS ANXIOLYTIC AGENTS ICI AMERICAS INC. (US) 1992-06-02 US disclosed
US-4975435-A Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety ICI AMERICAS INC. (US) 1990-12-04 US disclosed
EP-0245053-A1 Heterocyclic fused tricyclic compounds ICI AMERICAS INC. (US) 1987-11-11 EP 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 (8 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-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER CDC7, BUB1B, CDK7 APLNR 4701/4885HDAC3 604/4885HDAC1 784/4885
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof HIF1AN, HIF1A, EGLN2 APLNR 2610/4885HDAC3 646/4885HDAC1 1039/4885
US-12024525-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment GRM5, GABRA5, GABRE APLNR 905/4885HDAC3 522/4885HDAC1 1300/4885
US-11312721-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment GRM5, GABRA5, GABRE APLNR 890/4885HDAC3 604/4885HDAC1 1483/4885
US-20040254215-A1 Adjust concentration of erythropoietin in blood; strokes; antiepileptic agents; liver disorders; antiulcer agents; central nervous system disorders EPOR, HIF1AN, HIF1A APLNR 963/4885HDAC3 3222/4885HDAC1 4003/4885
US-20220144821-A1 AKT INHIBITOR AKT2, AKT1, MTOR APLNR 3355/4885HDAC3 739/4885HDAC1 242/4885
US-20230134844-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GABRA5, GABRE APLNR 1018/4885HDAC3 894/4885HDAC1 1778/4885
US-20060217416-A1 Antihypoxic agents; adjust concentration of erythropoietin concentration in blood; strokes; antiepileptic agents; neurodegenerative disease ; liver disorders; antiischemic agents EPOR, HIF1AN, HIF1A APLNR 385/4885HDAC3 3290/4885HDAC1 3970/4885

“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.