SCHEMBL17201539

SCHEMBL17201539

COC(=O)c1ccc(-c2cnnc(C)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
NPC1 O15118 2/20 0.45
GLA P06280 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
POLQ O75417 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 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
SCHEMBL17201612 0.87 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL17201687 0.85 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL17201522 0.83 CTSS (0.42) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL17208104 0.80 HDAC1 (0.46) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL16896393 0.79 HDAC6 (0.43) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL6477476 0.77 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL17201571 0.76 ALDH1A1 (0.52) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL17201676 0.76 NPSR1 (0.42) KDM4ESMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL17208107 0.75 HSD17B1 (0.56) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL19892312 0.75 MKNK1 (0.50) KDM4ESMN1; SMN2ALDH1A1GAANPC1

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 KDM4E 997/4885SMN1; SMN2 2157/4885ALDH1A1 886/4885

“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.