SCHEMBL17201566

SCHEMBL17201566

CCOC(=O)c1ccc(-c2cccnn2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.45
ERN1 O75460 2/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39

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
SCHEMBL17201603 0.84 KDM4E (0.45) HDAC3HDAC4HDAC1HDAC6LMNA
SCHEMBL13185669 0.82 KDM4E (0.61) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL2492178 0.79 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL17201516 0.78 ERN1 (0.46) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL17201672 0.78 ERN1 (0.48) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL23091208 0.78 CYP2A6 (0.65) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL12682951 0.78 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL17201604 0.77 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL17201611 0.77 KDM4E (0.63) HDAC3HDAC4HDAC1HDAC6KDM4E
SCHEMBL2362973 0.77 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC6ERN1

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 9 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
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-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO 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
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 HDAC3 1071/4885HDAC4 1433/4885HDAC1 642/4885
US-20150307506-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II CTSK, CAT, OPRK1 HDAC3 1017/4885HDAC4 1279/4885HDAC1 804/4885

“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.