SCHEMBL1814265

SCHEMBL1814265

CC(=O)CCC(=O)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ PARP1 P09874 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ GLA P06280 1/20 0.49
▸ OGG1 O15527 2/20 0.48
▸ TP53 P04637 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ CYP3A4 P08684 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
SCHEMBL3456365 0.85 L3MBTL1 (0.57) SMN1; SMN2KDM4EHPGDPARP1L3MBTL1
SCHEMBL30666330 0.84 NR4A2 (0.62) SMN1; SMN2PARP1L3MBTL1ALDH1A1GLA
SCHEMBL2822591 0.84 L3MBTL1 (0.56) SMN1; SMN2KDM4EPARP1L3MBTL1ALDH1A1
SCHEMBL7403811 0.84 NR4A2 (0.62) SMN1; SMN2PARP1L3MBTL1ALDH1A1GLA
SCHEMBL8074149 0.82 PARP1 (0.61) SMN1; SMN2HPGDPARP1L3MBTL1ALDH1A1
SCHEMBL3896481 0.82 OGG1 (0.58) KDM4EPARP1L3MBTL1ALDH1A1GLA
SCHEMBL18340892 0.81 L3MBTL1 (0.50) KDM4EHPGDPARP1L3MBTL1ALDH1A1
SCHEMBL2203444 0.81 PARP1 (0.59) KDM4EHPGDPARP1L3MBTL1ALDH1A1
SCHEMBL30666326 0.80 RXFP1 (0.51) SMN1; SMN2KDM4EHPGDPARP1L3MBTL1
SCHEMBL15058686 0.80 RXFP1 (0.51) SMN1; SMN2KDM4EHPGDPARP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117342963-A 1, 4-dicarbonyl compound, and preparation method and application thereof 上海予君生物科技发展有限公司 2024-01-05 — — CN disclosed
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 — — US disclosed
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 — — US disclosed
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 — — US disclosed
EP-2056823-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF Wyeth (US) 2009-05-13 — — EP disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 — — US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 — — US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 — — US disclosed
WO-2008024922-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF WYETH (US) 2008-02-28 — — 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 (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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 SMN1; SMN2 598/4885KDM4E 4164/4885HPGD 83/4885

“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.

Send feedback