SCHEMBL17201672

SCHEMBL17201672

CCOC(=O)c1ccc(-c2ccc(OC)nn2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 8/20 0.38
HPGD P15428 4/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 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
SCHEMBL2492178 0.84 HDAC3 (0.48) ERN1HDAC3HDAC4HDAC1HDAC6
SCHEMBL17201506 0.81 KDM4E (0.47) ERN1ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL17201566 0.78 HDAC3 (0.47) ERN1HDAC3HDAC4HDAC1HDAC6
SCHEMBL2362973 0.77 HDAC3 (0.51) ERN1HDAC3HDAC4HDAC1HDAC6
SCHEMBL6528907 0.75 HDAC3 (0.47) ERN1HDAC3HDAC4HDAC1HDAC6
SCHEMBL7018973 0.75 HDAC3 (0.73) ERN1HDAC3HDAC4HDAC1HDAC6
SCHEMBL6361017 0.74 KDM4E (0.61) ERN1HDAC3HDAC4HDAC1HDAC6
SCHEMBL13185669 0.73 KDM4E (0.61) ERN1HDAC3HDAC4HDAC1HDAC6
SCHEMBL21523715 0.73 SCD5 (0.52) ALDH1A1KDM4EMAPTTP53L3MBTL1
SCHEMBL17201516 0.73 ERN1 (0.46) ERN1HDAC3HDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I 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 (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-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT ERN1 4138/4885HDAC3 1071/4885HDAC4 1433/4885

“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.