SCHEMBL5544362

SCHEMBL5544362

[c]1ccc(-c2cccs2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2B6 P20813 1/20 0.50
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KCNH2 Q12809 1/20 0.40
HSD17B10 Q99714 5/20 0.38
RAB9A P51151 5/20 0.38

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
SCHEMBL500888 0.79 CYP2C9 (0.53) CYP2C9CYP3A4CYP2E1CYP2A6CYP2B6
SCHEMBL745572 0.75
SCHEMBL126939 0.74 LTA4H (0.52) CYP2C9CYP3A4CYP2E1CYP2A6CYP2B6
SCHEMBL17701233 0.72 DYRK1A (0.41) KDM4EALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL13858918 0.71 CYP3A4 (0.48) CYP2C9CYP3A4CYP2E1CYP2A6CYP2B6
SCHEMBL338810 0.70 LTA4H (0.70) CYP2C9CYP3A4CYP2E1CYP2A6CYP2B6
SCHEMBL1464252 0.70
SCHEMBL69790 0.70 ALDH1A1 (0.43) CYP3A4CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL9079061 0.69
SCHEMBL744756 0.69 CYP2A6 (0.53) CYP2A6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709666-B1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS NV (NL) 2021-07-14 EP disclosed
US-10004810-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2018-06-26 US disclosed
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 US disclosed
US-9421274-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2016-08-23 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2709666-A1 BIO-ORTHOGONAL DRUG ACTIVATION Koninklijke Philips N.V. (NL) 2014-03-26 EP 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
WO-2012156918-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-22 WO 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 (3 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-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS CYP2C9 305/4885CYP3A4 337/4885CYP2E1 1229/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP2C9 2351/4885CYP3A4 1683/4885CYP2E1 1258/4885
US-10004810-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS CYP2C9 305/4885CYP3A4 337/4885CYP2E1 1229/4885

“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.