SCHEMBL17201611

SCHEMBL17201611

O=C(O)c1ccc(-c2cccnn2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
RPS6KB2 Q9UBS0 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
HPGDS O60760 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL17065303 0.85 IKBKB (0.46) KDM4EMKNK1MKNK2RAB9AALDH1A1
SCHEMBL17201603 0.84 KDM4E (0.45) KDM4EMKNK1MKNK2RAB9AALDH1A1
SCHEMBL16142055 0.78 KDM4E (0.66) KDM4EMKNK1MKNK2MEN1POLB
SCHEMBL17201566 0.77 HDAC3 (0.47) KDM4EMEN1RAB9AKMT2AALDH1A1
SCHEMBL29631004 0.77 KDM4E (1.00) KDM4EMKNK1MKNK2MEN1POLB
SCHEMBL373105 0.77 KDM4E (1.00) KDM4EMKNK1MKNK2MEN1POLB
SCHEMBL17208110 0.77 DHODH (0.42) KDM4EMKNK1MKNK2KMT2AALDH1A1
SCHEMBL12571407 0.76 ALDH1A1 (0.50) KDM4EMKNK1MKNK2MEN1RAB9A
SCHEMBL593023 0.74 MEN1 (0.65) KDM4EMKNK1MKNK2MEN1POLB
SCHEMBL12571313 0.73 DHODH (0.45) KDM4EMKNK1MKNK2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802947-B2 3-oxo-tetrahydro-furo[3,2-b]pyrrol-4(5H)-yl) derivatives II Grünenthal GmbH (DE) 2017-10-31 US disclosed
US-9802947-B2 3-oxo-tetrahydro-furo[3,2-b]pyrrol-4(5H)-yl) derivatives II Grünenthal GmbH (DE) 2017-10-31 US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 EP disclosed
WO-2015161924-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2015-10-29 WO disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 US disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 US disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 US disclosed
US-20150307506-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2015-10-29 US disclosed
US-20150307506-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2015-10-29 US 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 (2 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-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT KDM4E 997/4885MKNK1 1172/4885MKNK2 1484/4885
US-20150307506-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II CTSK, CAT, OPRK1 KDM4E 1243/4885MKNK1 344/4885MKNK2 466/4885

“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.