SCHEMBL1968329

SCHEMBL1968329

COC(=O)c1nc(C)sc1-c1ccc(C)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 3/20 0.39
RCE1 Q9Y256 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL1968436 0.85 HCAR2 (0.36) KDM4ESMN1; SMN2RAB9AHCRTR1HCRTR2
SCHEMBL2057220 0.83 HCRTR1 (0.43) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL980857 0.80 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL926256 0.80 ALPL (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL30775082 0.80 HCRTR1 (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL269010 0.80 HCRTR1 (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL269232 0.79 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL269966 0.78 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL981438 0.77 HCRTR1 (0.43) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1340214 0.77 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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 (2 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 690/4885SMN1; SMN2 3479/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KDM4E 452/4885ALDH1A1 2292/4885SMN1; SMN2 3751/4885

“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.