SCHEMBL5532773

SCHEMBL5532773

Cc1cccc(OCC(N)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
GAA P10253 3/20 0.60
MAPT P10636 5/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL8976610 0.84 KMT2A (0.62) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL11128406 0.84 KMT2A (0.62) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL30024728 0.84 LMNA (0.69) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL654293 0.84 LMNA (0.69) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL6850974 0.83 SMN1; SMN2 (0.65) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL7262674 0.83 NPC1 (0.50) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL8264168 0.82 PPARG (0.50) GAAMAPK1POLBSMN1; SMN2TDP1
SCHEMBL2719604 0.82 KMT2A (0.60) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL11212235 0.82 TP53 (0.55) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL4777988 0.82 LMNA (0.72) KMT2AGAAMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755949-B1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-10-21 EP disclosed
US-9090600-B2 Fungicidal 4-substituted-3-{phenyl[(heterocyclylmethoxy)imino]methyl}-1,2,4-oxadizol-5(4H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-8906952-B2 Indole derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating metabolic diseases containing same as active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE & BIOTECHNOLOGY (KR) 2014-12-09 US disclosed
US-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
EP-2755949-A1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-07-23 EP disclosed
US-20140057909-A1 Novel Indole Derivative or Pharmaceutically Acceptable Salt Thereof, Preparation Method Thereof, and Pharmaceutical Composition for Preventing or Treating Metabolic Diseases Containing Same as Active Ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-02-27 US disclosed
WO-2013037717-A1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 WO disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
US-8039638-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 US disclosed
US-8039638-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 US disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO disclosed
US-20100069353-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
US-20100069353-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
WO-2008067644-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 WO disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
CN-1426303-A Thiazole, imidazole and oxazole compounds and treatment of diseases associated with protein aging ALTEON INC (US) 2003-06-25 CN disclosed
US-5424164-A Image forming method FUJI PHOTO FILM CO., LTD (JP) 1995-06-13 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 (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-20100069353-A1 INHIBITORS OF HIV REPLICATION RTF2, REV1, CCNT1 KMT2A 2394/4885GAA 2445/4885MAPT 3099/4885
US-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES CYP4X1, CYP4B1, CYP4Z1 KMT2A 2404/4885GAA 1441/4885MAPT 4132/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 KMT2A 792/4885GAA 266/4885MAPT 680/4885
US-20140057909-A1 Novel Indole Derivative or Pharmaceutically Acceptable Salt Thereof, Preparation Method Thereof, and Pharmaceutical Composition for Preventing or Treating Metabolic Diseases Containing Same as Active Ingredient DGAT2, DGAT1, DLAT KMT2A 659/4885GAA 1284/4885MAPT 1593/4885

“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.