SCHEMBL5543205

SCHEMBL5543205

Cc1ccc(N[C]=O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL11473042 0.83 MAPT (0.38) POLBALDH1A1NPC1RAB9AMAPT
SCHEMBL2324280 0.81 KMT2A (0.46) POLBHTTALDH1A1NPC1RAB9A
SCHEMBL7531768 0.81 RAPGEF4 (0.55) HTTALDH1A1NPC1RAB9AMAPT
SCHEMBL2093997 0.81 RAPGEF4 (0.42) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5462845 0.81 TDP1 (0.50) POLBALDH1A1NPC1RAB9AMAPT
SCHEMBL7352506 0.78 MEN1 (0.32) POLBKMT2AGAA
SCHEMBL11431975 0.77 HTT (0.53) POLBHTTALDH1A1NPC1RAB9A
SCHEMBL428216 0.75 MEN1 (0.48) POLBALDH1A1NPC1RAB9AMAPT
SCHEMBL7528435 0.75 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7789704 0.74 MEN1 (0.32) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-4861872-A Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-29 US claimed
EP-0281951-A1 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-14 EP claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0552824-A2 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
US-4861872-A Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-29 US disclosed
EP-0281951-A1 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-14 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 POLB 1637/4885HTT 4644/4885ALDH1A1 355/4885

“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.