SCHEMBL2776948

SCHEMBL2776948

CCC(=NO)c1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
KDM4E B2RXH2 2/20 0.68
GAA P10253 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 1/20 0.59
NR1I2 O75469 1/20 0.59
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PKM P14618 2/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
GSK3B P49841 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 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
SCHEMBL2776947 1.00 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL16563402 1.00 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL13268902 0.85 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL5918214 0.84 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EALDH1A1NR1I2CES2
SCHEMBL8025191 0.84 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EALDH1A1NR1I2CES2
SCHEMBL8968658 0.84 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EALDH1A1NR1I2CES2
SCHEMBL23019763 0.84 GAA (0.61) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL6069211 0.84 GAA (0.61) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL28738527 0.82 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EALDH1A1NR1I2CES2
SCHEMBL27838330 0.82 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113891882-A Method for producing dihydroisoxazole 组合化学工业株式会社 2022-01-04 CN disclosed
US-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 US disclosed
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 US disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 US disclosed
EP-2848618-A1 NITROGENATED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 EP disclosed
US-8933240-B2 Synthesis for thiazolidinedione compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2015-01-13 US disclosed
EP-2227475-B1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN INC (US) 2014-02-19 EP disclosed
US-20130204008-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-08-08 US disclosed
US-6844359-B2 Substituted imides CELGENE CORPORATION (US) 2005-01-18 US disclosed
US-20020143027-A1 Novel substituted imides MULLER GEORGE W (US) 2002-10-03 US disclosed
US-6429221-B1 INHIBITORS OF TUMOR NECROSIS FACTOR; USED TO TREAT CACHEXIA, ENDOTOXIC SHOCK, AND RETROVIRUS REPLICATION CELGENE CORPORATION 2002-08-06 US disclosed
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed
US-6225463-B1 REACTING S-AMINE COMPOUND WITH AN ALDEHYDE; REACTING WITH ACYL CHLORIDE IN PRESENCE OF TRIETHYLAMINE TO FORM DIASTEREOISOMERIC BETA-LACTAMS; SEPARATION; TREATING WITH CERIUM AMMONIUM NITRATE AND ACETONITRILE AND WATER PHARMACHEMIE B.V. (NL) 2001-05-01 US disclosed
EP-0933360-A1 Synthesis of new beta-lactams PHARMACHEMIE B.V. (NL) 1999-08-04 EP disclosed
EP-0800514-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020926-A9 SUBSTITUTED IMIDES AS TNF INHIBITORS 1996-09-26 WO disclosed
WO-1996020926-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1996-07-11 WO disclosed
US-4032644-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-06-28 US 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 (5 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A SMN1; SMN2 534/4885KDM4E 1317/4885GAA 851/4885
US-20020143027-A1 Novel substituted imides TNF, MIF, TNFRSF1A SMN1; SMN2 312/4885KDM4E 276/4885GAA 1882/4885
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A SMN1; SMN2 534/4885KDM4E 1317/4885GAA 851/4885
US-20130204008-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS PPARG, PPARD, PPARA SMN1; SMN2 4850/4885KDM4E 1814/4885GAA 3026/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A SMN1; SMN2 534/4885KDM4E 1317/4885GAA 851/4885

“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.