SCHEMBL17201604

SCHEMBL17201604

CCOC(=O)c1ccc(-c2cc(Cl)cnn2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ERN1 O75460 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
ALPL P05186 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 3/20 0.38
CASP1 P29466 2/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 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
SCHEMBL17201516 0.86 ERN1 (0.46) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL17201588 0.82 ALDH1A1 (0.36) HDAC1ALDH1A1HPGDKDM4EMAPT
SCHEMBL17201518 0.81 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL2492178 0.79 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL17201566 0.77 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL4338533 0.77 ERN1 (0.56) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL1144728 0.75 IKBKB (0.58) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL12682951 0.75 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL17201558 0.75 ERN1 (0.49) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL19892393 0.73 CDC7 (0.53) 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 6 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
EP-3134414-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2017-03-01 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
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 HDAC3 1071/4885HDAC4 1433/4885HDAC1 642/4885

“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.