SCHEMBL8312391

SCHEMBL8312391

CNc1cccc2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SIGMAR1 Q99720 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
BCL2L1 Q07817 1/20 0.45
BAD Q92934 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45

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
SCHEMBL3366873 0.96 ALDH1A1 (0.54) NISCHALDH1A1SIGMAR1LMNAMEN1
SCHEMBL20866604 0.94 ALDH1A1 (0.53) NISCHALDH1A1SIGMAR1LMNAMEN1
SCHEMBL19112709 0.84 NISCH (0.49) NISCHALDH1A1SIGMAR1LMNAMEN1
SCHEMBL11456138 0.80 NISCH (0.49) NISCHALDH1A1SIGMAR1LMNAMEN1
SCHEMBL4042587 0.79 SIGMAR1 (0.53) NISCHALDH1A1SIGMAR1LMNAMEN1
SCHEMBL25796675 0.79 SIGMAR1 (0.49) NISCHALDH1A1SIGMAR1LMNAMEN1
SCHEMBL12471303 0.79 HTT (0.54) NISCHALDH1A1SIGMAR1LMNAMEN1
SCHEMBL12403846 0.79 NISCH (0.48) NISCHALDH1A1SIGMAR1LMNAMEN1
SCHEMBL7905159 0.78 BCL2L1 (0.54) ALDH1A1SIGMAR1LMNAMEN1THRA
SCHEMBL12101466 0.78 MEN1 (0.56) NISCHALDH1A1SIGMAR1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017897-A1 1,3,4-OXADIAZOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS ITALFARMACO S.P.A. (IT) 2024-01-25 WO disclosed
WO-2023072270-A1 PROTAC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2023-05-04 WO disclosed
WO-2021238818-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF 百极弘烨(广东)医药科技有限公司 2021-12-02 WO disclosed
CN-107531613-B Benzo-aliphatic ring-substituted alkylamine compound and application thereof 华东理工大学 2021-02-05 CN disclosed
WO-2017184624-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 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 (4 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-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 NISCH 1026/4885ALDH1A1 1049/4885SIGMAR1 1659/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 NISCH 1026/4885ALDH1A1 1049/4885SIGMAR1 1659/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A NISCH 1850/4885ALDH1A1 623/4885SIGMAR1 1800/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A NISCH 1850/4885ALDH1A1 623/4885SIGMAR1 1800/4885

“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.