SCHEMBL1799441

SCHEMBL1799441

CC(C)OC(=O)c1cccc(CCl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
POLB P06746 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL12143438 0.87 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL20295092 0.85 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL19500263 0.85 SLC7A5 (0.44) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL14081424 0.84 LOXL2 (0.69) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL20295184 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL27405488 0.83 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL20295195 0.83 CYP4F2 (0.69) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL43683 0.82 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL7474110 0.82 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL1311719 0.81 LOXL2 (0.70) NPC1RAB9ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-8247563-B2 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one ; for therapy of Alzheimer's disease, myasthenia gravis, Huntingtons disease or glaucoma REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-7951813-B2 Aldehyde dehydrogenase; 3-(4-hydroxyphenyl)-7-[(5-phenyl(1,2,4-oxadiazol-3-yl))methoxy]-3-hydroquinazolin-4-one; alcoholism; cocaine and nicotine addictions GILEAD SCIENCES, INC. (US) 2011-05-31 US disclosed
CN-101626688-A Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS INC 2010-01-13 CN disclosed
EP-2129665-A1 QUINAZOLINONE DERIVATIVES AS ALDH-2 INHIBITORS CV Therapeutics Inc. (US) 2009-12-09 EP disclosed
EP-2114166-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS Reviva Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
WO-2008124532-A1 QUINAZOLINONE DERIVATIVES AS ALDH-2 INHIBITORS CV THERAPEUTICS, INC. (US) 2008-10-16 WO disclosed
US-20080249116-A1 QUINAZOLINONE DERIVATIVES AS ALDH-2 INHIBITORS AMYGDALA NEUROSCIENCES, INC. 2008-10-09 US disclosed
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
WO-2008073452-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2008-06-19 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-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 NPC1 583/4885RAB9A 2194/4885SMN1; SMN2 4298/4885
US-20080249116-A1 QUINAZOLINONE DERIVATIVES AS ALDH-2 INHIBITORS ALDH1A1, ALDH2, ALDH3A1 NPC1 1674/4885RAB9A 2264/4885SMN1; SMN2 2564/4885
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors ACHE, BCHE, CHKA NPC1 584/4885RAB9A 3786/4885SMN1; SMN2 2821/4885
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS ACHE, BCHE, CHKA NPC1 584/4885RAB9A 3786/4885SMN1; SMN2 2821/4885

“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.