SCHEMBL17204708

SCHEMBL17204708

COC(=O)c1ccc(-c2ccncn2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
NPSR1 Q6W5P4 2/20 0.44
NCOA1 Q15788 2/20 0.44
NCOA3 Q9Y6Q9 2/20 0.44
PPARG P37231 2/20 0.44
LMNA P02545 1/20 0.44
NCOA2 Q15596 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL11889639 0.84 KDM4E (0.63) KDM4EHDAC1HDAC3HDAC4HDAC7
SCHEMBL12571405 0.81 CDC7 (0.48) KDM4ENPSR1NCOA1NCOA3PPARG
SCHEMBL656907 0.80 KDM4E (0.71) KDM4ENPSR1NCOA1NCOA3PPARG
SCHEMBL5238765 0.80 HDAC3 (0.66) KDM4ENPSR1NCOA1NCOA3PPARG
SCHEMBL1235256 0.78 LMNA (0.60) KDM4ENPSR1NCOA1NCOA3PPARG
SCHEMBL17204646 0.78 AKT3 (0.43) KDM4ENPSR1NCOA1NCOA3PPARG
SCHEMBL19892312 0.75 MKNK1 (0.50) KDM4ENPSR1NCOA1NCOA3PPARG
SCHEMBL5903696 0.75 HDAC1 (0.54) KDM4ENPSR1NCOA1NCOA3PPARG
SCHEMBL5903799 0.74 RAB9A (0.48) KDM4EPPARGLMNAMAPK1IL2
SCHEMBL6498557 0.74 DAO (0.52) KDM4ENPSR1NCOA1NCOA3PPARG

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-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
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 KDM4E 997/4885NPSR1 583/4885NCOA1 1939/4885

“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.