SCHEMBL245065

SCHEMBL245065

COC(=O)Oc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 6/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.42
PKM P14618 3/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4A P27815 1/20 0.41

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
SCHEMBL450118 0.88 CES2 (0.46) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL7521569 0.84 CES2 (0.48) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL8893245 0.80 ELANE (0.45) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL481549 0.80 LMNA (0.49) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL240655 0.80 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL29721865 0.80 KDM4E (0.50) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL680046 0.80 KDM4E (0.50) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL11865903 0.79 CES2 (0.46) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL12052657 0.79 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL28667662 0.79 CES2 (0.39) NPC1RAB9ASMN1; SMN2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352732-B1 2,5-DIAMINO-SUBSTITUTED PYRIDO[4, 3-d]PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GMBH (DE) 2013-02-20 EP claimed
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed
CN-111825611-B 4(1H) -quinovone derivatives and uses thereof 刘扶东 2022-09-09 CN disclosed
CN-114945572-A HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia 刘扶东 2022-08-26 CN disclosed
EP-2585451-B1 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER IP GMBH (DE) 2017-03-01 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
EP-1760069-B1 PROCESS FOR PRODUCING AROMATIC CARBONATE ASAHI KASEI CHEMICALS CORP (JP) 2013-08-14 EP disclosed
EP-2585451-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL Bayer Intellectual Property GmbH (DE) 2013-05-01 EP disclosed
EP-0673931-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
EP-0461274-B1 PROCESS FOR CONTINUOUSLY PRODUCING AROMATIC CARBONATE ASAHI CHEMICAL IND (JP) 1994-06-15 EP disclosed
US-5210268-A Ester interchange, catalysis ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-05-11 US disclosed
EP-0461274-A1 PROCESS FOR CONTINUOUSLY PRODUCING AROMATIC CARBONATE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-12-18 EP disclosed
EP-0276204-A2 Pyridine gametocides Monsanto Company (US) 1988-07-27 EP disclosed
US-4642349-A REACTING AROMATIC CARBONATE AND ORGANIC HALIDE THE DOW CHEMICAL COMPANY (US) 1987-02-10 US disclosed
US-4612386-A Process for making esters THE DOW CHEMICAL COMPANY (US) 1986-09-16 US disclosed
US-4375549-A FROM ORGANIC SILYL HALIDE AND A CARBONATE THE DOW CHEMICAL COMPANY (US) 1983-03-01 US disclosed
US-4250174-A 2-CARBAMATE AND 6-PHENYLTHIO OR PHENYLSULFINYL SUBSTITUTED, ANTHELMINTICS MERCK & CO., INC. (US) 1981-02-10 US disclosed
EP-0018837-A1 3-Substituted imidazo (1,2-a) pyridines, their production, compositions containing them, and their use as anthelmintics MERCK & CO. INC. (US) 1980-11-12 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 (1 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-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES MLKL, MARCKS, MAP3K4 NPC1 987/4885RAB9A 1858/4885SMN1; SMN2 3711/4885

“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.