SCHEMBL436384

SCHEMBL436384

Cc1nc(-c2ccccc2)oc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
KDM4E B2RXH2 4/20 0.54
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
HPGD P15428 6/20 0.49
NPC1 O15118 5/20 0.49
POLB P06746 3/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TARBP2 Q15633 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.44
IKBKB O14920 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL14431592 0.96 GAA (0.54) GAAKDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL14776733 0.83 KDM4E (0.51) GAAKDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL2706143 0.83 NPC1 (0.52) KDM4ERAB9ASMN1; SMN2HPGDNPC1
SCHEMBL2089931 0.81 KDM4E (0.56) KDM4ERAB9ASMN1; SMN2HPGDNPC1
SCHEMBL15716531 0.81 IKBKB (0.56) GAAKDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL869242 0.81 GAA (0.51) GAAKDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL13633790 0.81 TP53 (0.50) GAAKDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL9431205 0.80 KDM4E (0.49) GAAKDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL13633783 0.80 PPARG (0.43) GAAKDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL7738122 0.79 KDM4E (0.56) GAAKDM4ERAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
US-20230015617-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2023-01-19 US disclosed
US-11160803-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2021-11-02 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
US-10449192-B2 Phthalazinone derivatives KUDO PHARMACEUTICALS LIMITED (GB) 2019-10-22 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS GAA 985/4885KDM4E 1416/4885RAB9A 2926/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 GAA 4165/4885KDM4E 4854/4885RAB9A 2824/4885
US-10449192-B2 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 GAA 4688/4885KDM4E 3377/4885RAB9A 3332/4885
US-11160803-B2 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 GAA 4688/4885KDM4E 3377/4885RAB9A 3332/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 GAA 486/4885KDM4E 1433/4885RAB9A 2788/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 GAA 3997/4885KDM4E 4057/4885RAB9A 483/4885
US-20230015617-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 GAA 4710/4885KDM4E 3328/4885RAB9A 3570/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 GAA 4674/4885KDM4E 4100/4885RAB9A 899/4885

“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.