SCHEMBL3160952

SCHEMBL3160952

CCC(=O)N(C)c1cscn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MAP3K5 Q99683 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
OPRD1 P41143 1/20 0.32
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3161028 0.81 KDM4E (0.41) KDM4EALDH1A1TSHRMAPK1NPSR1
SCHEMBL3842913 0.75 KDM4E (0.36) KDM4EALDH1A1TSHR
SCHEMBL9940508 0.73 HIF1A (0.41) KDM4EALDH1A1
SCHEMBL10305113 0.72 NR1H2 (0.40) KDM4EALDH1A1OPRD1MAPK1NPSR1
SCHEMBL16287666 0.71 KDM4E (0.40) KDM4EALDH1A1TSHR
SCHEMBL11354719 0.71 KDM4E (0.42) KDM4EMAP3K5ALDH1A1TSHRMAPK1
SCHEMBL8617913 0.69
SCHEMBL7666637 0.69
SCHEMBL14543239 0.68 KDM4E (0.48) KDM4EMAP3K5ALDH1A1TSHROPRD1
SCHEMBL16178136 0.67 KDM4E (0.47) KDM4EALDH1A1TSHR

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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S KDM4E 1978/4885MAP3K5 3287/4885ALDH1A1 957/4885

“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.