SCHEMBL318571

SCHEMBL318571

Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Pd])c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
Naphthoquinone SCHEMBL29778087 0.80 IDO1 (0.42) ALDH1A1KDM4EPOLBMAPTHTT
Naphthoquinone SCHEMBL820053 0.80 IDO1 (0.42) ALDH1A1KDM4EPOLBMAPTHTT
SCHEMBL18179634 0.76 KDM4E (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL30472444 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL29151039 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL29445002 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL30860724 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL28476099 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL14024390 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ERAPGEF4POLBMAPT
Hydrochloric Acid SCHEMBL13721746 0.74 ALDH1A1 (0.32) ALDH1A1KDM4ERAPGEF4POLBMAPT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406075-A Silicon-containing polycyclic chromone skeleton compound, preparation method and application thereof 遵义医科大学 2024-07-30 CN claimed
CN-111212647-B Dihydro oxadiazinones 拜耳股份有限公司 2024-05-14 CN claimed
CN-115557907-B 2,4, 5-Trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2024-12-06 CN disclosed
CN-118406075-A Silicon-containing polycyclic chromone skeleton compound, preparation method and application thereof 遵义医科大学 2024-07-30 CN disclosed
CN-111212647-B Dihydro oxadiazinones 拜耳股份有限公司 2024-05-14 CN disclosed
CN-114921391-B 4, 5-cyclic 1,2, 4-triazolones 拜耳股份有限公司 2024-01-02 CN disclosed
CN-115557907-A 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2023-01-03 CN disclosed
CN-114921391-A 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-08-19 CN disclosed
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 CN disclosed
CN-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 CN disclosed
CN-109661399-B Cross-coupling method 里科瑞尔姆IP控股有限责任公司 2021-09-07 CN disclosed
CN-112040951-A Antibody Drug Conjugates (ADC) with NAMPT inhibitors 拜耳股份公司 2020-12-04 CN disclosed
US-10077265-B2 Substituted oxopyridine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-18 US disclosed
US-20170283412-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-05 US disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 US disclosed
EP-2675774-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2013-12-25 EP disclosed
WO-2012111849-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 WO disclosed
WO-2012004160-A1 COMPOSITION FOR PRODUCING POLYMERS, (METH)ACRYLIC POLYMER, COATING AGENT, AND COATING EVONIK RÖHM GMBH (DE) 2012-01-12 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-10077265-B2 Substituted oxopyridine derivatives OGFOD1, PNPO, VASP ALDH1A1 1944/4885KDM4E 1864/4885RAPGEF4 1772/4885
US-20170283412-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, PNPO, VASP ALDH1A1 1944/4885KDM4E 1864/4885RAPGEF4 1772/4885
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 ALDH1A1 2300/4885KDM4E 3146/4885RAPGEF4 2488/4885

“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.