SCHEMBL5543822

SCHEMBL5543822

Fc1ccc(-c2n[c]co2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
NOTUM Q6P988 2/20 0.47
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ATM Q13315 2/20 0.34
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALOX15 P16050 1/20 0.33
USP1 O94782 1/20 0.33

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
SCHEMBL5544434 0.79 DGAT1 (0.41) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL2753018 0.79 GRM5 (0.33) NOTUM
SCHEMBL8835176 0.79 NOTUM (0.47) NPC1RAB9ANOTUMTP53SMN1; SMN2
SCHEMBL2750110 0.79 CHRNB2 (0.38) NOTUMHDAC6MAOB
SCHEMBL67807 0.78 NPC1 (0.44) NPC1RAB9ANOTUMSMN1; SMN2TSHR
SCHEMBL4527783 0.77 TP53 (0.46) NPC1RAB9ANOTUMTP53SMN1; SMN2
SCHEMBL2751745 0.71 NOTUM (0.41) NOTUM
SCHEMBL2753254 0.71 AHR (0.46) NPC1RAB9ANOTUMTP53SMN1; SMN2
SCHEMBL5199963 0.69 RAB9A (0.36) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL2753064 0.67 MAPK1 (0.55) NPC1RAB9ATP53SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102858338-A Pharmaceutical compositions for the treatment of pain and other indications MERCK SHARP & DOHME 2013-01-02 CN disclosed
CN-100540538-C High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-16 CN disclosed
CN-101519386-A High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-02 CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1503786-A High Conductivity Calcium-Activated K Channel Opener ������ҩ��ʽ���� 2004-06-09 CN 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 NPC1 2404/4885RAB9A 2824/4885NOTUM 3827/4885

“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.