SCHEMBL883086

SCHEMBL883086

O=C1CCCc2ccc(-c3ccccc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CYP2A6 P11509 1/20 0.42
NPY5R Q15761 3/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
USP30 Q70CQ3 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL10271343 0.97 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL31009554 0.90 KMT2A (0.44) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL10271347 0.80 MAOB (0.41) L3MBTL1ALDH1A1KDM4EMAOAMAOB
SCHEMBL6256544 0.79 KMT2A (0.38) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL11856462 0.76 HTT (0.43) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL11856469 0.76 HTT (0.43) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL31169753 0.75 NPC1 (0.52) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL28625202 0.75 NPC1 (0.52) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL874744 0.74 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
SCHEMBL345620 0.74 KMT2A (0.50) KMT2AL3MBTL1ALDH1A1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979650-B Organic compound and organic electroluminescent device containing the same 北京鼎材科技有限公司 2024-08-13 CN disclosed
CN-115368411-B Zinc complex and preparation method thereof 北京服装学院 2024-06-11 CN disclosed
CN-115368546-B Preparation method of biodegradable polyester 北京服装学院 2023-10-24 CN disclosed
EP-4229040-A1 ASYMMETRIC TRANSFER HYDROGENATION OF 2-ARYL SUBSTITUTED BICYCLIC PYRIDINE KETONES IN PRESENCE OF A CHIRAL RUTHENIUM CATALYST Bayer Aktiengesellschaft (DE) 2023-08-23 EP disclosed
CN-116348452-A Asymmetric transfer hydrogenation of 2-aryl substituted bicyclic pyridones in the presence of chiral ruthenium catalysts 拜耳公司 2023-06-27 CN disclosed
CN-115368546-A Preparation method of biodegradable polyester 北京服装学院 2022-11-22 CN disclosed
WO-2022078945-A1 ASYMMETRIC TRANSFER HYDROGENATION OF 2-ARYL SUBSTITUTED BICYCLIC PYRIDINE KETONES IN PRESENCE OF A CHIRAL RUTHENIUM CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2022-04-21 WO disclosed
US-9505739-B2 Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2016-11-29 US disclosed
US-9505739-B2 Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2016-11-29 US disclosed
US-20150038490-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2015-02-05 US disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO disclosed
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
WO-2010094242-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-08-26 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 (3 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-20150038490-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP KMT2A 4072/4885L3MBTL1 4800/4885ALDH1A1 533/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO KMT2A 1808/4885L3MBTL1 850/4885ALDH1A1 1110/4885
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP KMT2A 4072/4885L3MBTL1 4800/4885ALDH1A1 533/4885

“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.