Sugi Predict

Sugi Predict / Compounds / SCHEMBL505283

SCHEMBL505283

SCHEMBL505283

O=C(O)c1ccc(-c2cccc(F)c2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.65
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ BCL2L1 Q07817 1/20 0.52
▸ BAD Q92934 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ DHODH Q02127 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 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
SCHEMBL412227 0.85 ALDH1A1 (0.64) TTRBCL2L1BADALDH1A1MAPT
SCHEMBL5583011 0.84 MKNK1 (0.53) TTRHDAC1HDAC6HDAC3HDAC2
SCHEMBL5065165 0.83 BCL2L1 (0.53) TTRHDAC1HDAC6HDAC3HDAC2
SCHEMBL5050473 0.82 HDAC6 (0.56) TTRHDAC1HDAC6FOLH1
SCHEMBL28188905 0.82 TTR (0.61) TTRBCL2L1BADALDH1A1MAPT
SCHEMBL13263254 0.82 WDR5 (0.47) TTRHDAC1HDAC6HDAC3HDAC2
SCHEMBL5943856 0.81 HDAC6 (0.59) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL505866 0.80 HDAC3 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL28992395 0.80 HDAC3 (0.51) TTRHDAC1HDAC6HDAC3HDAC2
SCHEMBL9723083 0.80 HDAC3 (0.58) TTRHDAC1HDAC6HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 — — US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 — — US claimed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 — — WO claimed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 — — CN disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 — — US disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 — — CN disclosed
EP-1436249-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-11-06 — — EP disclosed
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 — — EP disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 — — EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 — — US disclosed
US-8008301-B2 (2-(S)-Pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-(4'-trifluoromethyl-biphenyl-4-yl)-methanone; treatment of nervous system disorder, obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2011-08-30 — — US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 — — WO disclosed
EP-1735278-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-12-27 — — EP disclosed
US-20060178438-A1 Muscarinic agonists ELI LILLY AND COMPANY (IN) 2006-08-10 — — US disclosed
US-20060154922-A1 Muscarinic agonists ELILILLY AND COMPANY (US) 2006-07-13 — — US disclosed
EP-1608617-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 — — EP disclosed
WO-2005097740-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-20 — — WO disclosed
WO-2004094363-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 — — WO disclosed
EP-0357702-A1 FLUORINATED OLIGOPHENYL DERIVATIVES. MERCK PATENT GMBH (DE) 1990-03-14 — — EP disclosed
WO-1989006678-A1 FLUORINATED OLIGOPHENYL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-07-27 — — 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-20060154922-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 TTR 4140/4885HDAC1 2227/4885HDAC6 3433/4885
US-20060178438-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 TTR 4140/4885HDAC1 2227/4885HDAC6 3433/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD TTR 3466/4885HDAC1 333/4885HDAC6 1593/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 TTR 4788/4885HDAC1 133/4885HDAC6 282/4885

“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.