SCHEMBL2056898

SCHEMBL2056898

COC(=O)c1nc(N(C)C)sc1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 7/20 0.50
PKM P14618 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49
RCE1 Q9Y256 1/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GAA P10253 2/20 0.43
IKBKB O14920 1/20 0.42
ALOX15 P16050 1/20 0.41
SLC6A4 P31645 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
SCHEMBL2056772 0.85 KDM4E (0.48) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL984151 0.85 MAPK14 (0.41) ALDH1A1HSD17B10HPGDPTGS2NPC1
SCHEMBL271104 0.82 KDM4E (0.53) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL924140 0.82 KDM4E (0.53) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL2056664 0.82 KDM4E (0.48) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL496375 0.81 KDM4E (0.75) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL2056904 0.78 KDM4E (0.49) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL1966769 0.77 KDM4E (0.49) KDM4EALDH1A1PKMSMN1; SMN2HSD17B10
SCHEMBL924869 0.76 KDM4E (0.48) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL14705966 0.75 GAA (0.48) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1

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 3 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-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO 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 690/4885PKM 2689/4885

“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.