SCHEMBL5540682

SCHEMBL5540682

[CH2]CCCc1ccc2ncccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.51
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 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
SCHEMBL28152082 0.98 DAO (0.50) DAONPC1POLBRAB9AKCNH2
SCHEMBL5535997 0.95 DAO (0.50) DAONPC1POLBRAB9AKCNH2
SCHEMBL5543432 0.94 DAO (0.49) DAONPC1POLBRAB9AKCNH2
SCHEMBL5546704 0.90 DAO (0.54) DAONPC1POLBRAB9AKCNH2
SCHEMBL5543689 0.87 ALDH1A1 (0.47) DAONPC1POLBRAB9AKCNH2
SCHEMBL4020874 0.85 DAO (0.56) DAONPC1POLBRAB9AKCNH2
SCHEMBL6115157 0.83 ALDH1A1 (0.51) DAONPC1POLBRAB9AKCNH2
SCHEMBL3158800 0.83 DAO (0.51) DAONPC1POLBRAB9AKCNH2
SCHEMBL4022893 0.83 DAO (0.51) DAONPC1POLBRAB9AKCNH2
SCHEMBL29827516 0.83 ALDH1A1 (0.51) DAONPC1POLBRAB9AKCNH2

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
CN-106687453-A Tetrahydroquinoline derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2017-05-17 CN disclosed
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
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 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
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 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

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 DAO 1115/4885NPC1 2404/4885POLB 1637/4885

“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.