SCHEMBL2056904

SCHEMBL2056904

COC(=O)c1nc(N(C)C)sc1-c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 6/20 0.49
HSD17B10 Q99714 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 5/20 0.44
RCE1 Q9Y256 1/20 0.44
GAA P10253 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 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
SCHEMBL1966769 0.86 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2056772 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1340321 0.86 PIN1 (0.49) ALDH1A1HPGDHSD17B10PKMATM
SCHEMBL270026 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2056664 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1339928 0.83 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL496473 0.82 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1970424 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2928657 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL983766 0.78 HCRTR1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR KDM4E 3641/4885ALDH1A1 690/4885HPGD 2597/4885

“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.