SCHEMBL456782

SCHEMBL456782

CCc1cc(CC)c(Br)c(CC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
HSPA5 P11021 1/20 0.42
SIGMAR1 Q99720 4/20 0.40
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
BACE1 P56817 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 2/20 0.32

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
SCHEMBL8633746 0.85 GABRA1 (0.39) GABRA1GABRB2HSPA5SIGMAR1MEN1
SCHEMBL17873619 0.80 GABRA1 (0.55) GABRA1GABRB2SIGMAR1GAAGRIN2D
SCHEMBL11804523 0.79 GABRA1 (0.34) GABRA1GABRB2HSPA5SIGMAR1
SCHEMBL469841 0.78 GABRA1 (0.52) GABRA1GABRB2HSPA5GAAKMT2A
SCHEMBL18567677 0.78 SLC5A1 (0.39) GABRA1GABRB2HSPA5SIGMAR1MEN1
SCHEMBL204196 0.76 GABRA1 (0.50) GABRA1GABRB2MEN1KMT2ABACE1
SCHEMBL19507340 0.76 GABRA1 (0.50) GABRA1GABRB2GRIN2DGRIN3BGRIN1
SCHEMBL27740004 0.75 DHFR (0.35) GABRA1GABRB2HSPA5SIGMAR1MEN1
SCHEMBL1760666 0.74 DHFR (0.44) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL18244029 0.74 HSPA5 (0.39) GABRA1GABRB2HSPA5MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104327106-A Preparation method of high-sterically-hindered arylborate compound SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY 2015-02-04 CN claimed
US-20250188106-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIDINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-06-12 US disclosed
CN-109734747-B Chiral iminodiphosphate and derivatives thereof 科勒研究有限公司 2024-08-27 CN disclosed
WO-2023172667-A2 SUBSTITUTED IMIDAZO[1,5-a]PYRIDINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-09-14 WO disclosed
CN-109734747-A Chiral imino-diacetic phosphate/ester and its derivative 科勒研究有限公司 2019-05-10 CN disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
US-9783561-B2 Chiral imidodiphosphates and derivatives thereof STUDIENGESELLSCHAFT KOHLE MBH (DE) 2017-10-10 US disclosed
EP-2802561-B1 CHIRAL IMIDODIPHOSPHATES AND DERIVATIVES THEREOF STUDIENGESELLSCHAFT KOHLE MBH (DE) 2017-07-26 EP disclosed
CN-104326952-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
CN-103180300-A Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2013-06-26 CN disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
CN-101238173-A Flame retarded styrenic foams and foam precursors ALBEMARLE CORP (US) 2008-08-06 CN disclosed
CN-101161764-A Substituted pentacene red organic electroluminescent material and preparation method thereof SHANGHAI TUOYIN DIGITAL TECHNO (CN) 2008-04-16 CN disclosed
EP-0718291-B1 Method for the preparation of triazole compounds CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-07-08 EP disclosed
US-5567825-A Method for the preparation of a triazole compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-10-22 US disclosed
EP-0718291-A1 Method for the preparation of triazole compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-06-26 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 (2 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 GABRA1 2456/4885GABRB2 2331/4885HSPA5 2927/4885
US-20250188106-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIDINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME NDC1, NUDC, PAICS GABRA1 2130/4885GABRB2 3248/4885HSPA5 4805/4885

“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.