SCHEMBL2056798

SCHEMBL2056798

[c]1c(-c2nsc3ccccc23)ccc2nsnc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ EPAS1 Q99814 5/20 0.34

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
SCHEMBL3350759 0.76 KDM4E (0.39) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL15987793 0.72 KDM4E (0.36) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL2057021 0.72 KDM4E (0.36) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL30987223 0.72 MAPT (0.60) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL28563540 0.72 MAPT (0.60) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL3150476 0.67 MAPT (0.46) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL6964514 0.65 KDM4E (0.52) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL4016240 0.65 NPC1 (0.50) KDM4EMAPTALDH1A1HSD17B10
SCHEMBL4875674 0.64 MAPT (0.39) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL29801223 0.64 ALDH1A1 (0.42) KDM4EMAPTALDH1A1HSD17B10EPAS1

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 3641/4885MAPT 1096/4885ALDH1A1 690/4885

“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.

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