SCHEMBL3160945

SCHEMBL3160945

CC(CC(N)=O)c1cscn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A3 Q01959 1/20 0.31
PKM P14618 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
SYK P43405 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6218758 0.84 KDM4E (0.40) KDM4EALDH1A1TSHRSLC6A3PKM
Hydrochloric Acid SCHEMBL6243419 0.83 KDM4E (0.39) KDM4EALDH1A1TSHRPKMHRH1
SCHEMBL7378461 0.79 KDM4E (0.35) KDM4EPKM
SCHEMBL2522189 0.77 KDM4E (0.38) KDM4EALDH1A1TSHRPKMHRH1
SCHEMBL17001553 0.76
SCHEMBL20899840 0.72 ALDH1A1 (0.32) KDM4EALDH1A1TSHRHRH1KCNH2
SCHEMBL3842916 0.71 KDM4E (0.34) KDM4EALDH1A1TSHR
SCHEMBL907621 0.71 KDM4E (0.44) KDM4EALDH1A1TSHRPKMHRH1
SCHEMBL11983474 0.71 KDM4E (0.39) KDM4EALDH1A1TSHRPKMHRH1
SCHEMBL16313108 0.71 ALDH1A1 (0.37) ALDH1A1TSHRHRH1KCNH2

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 1978/4885ALDH1A1 957/4885TSHR 1308/4885

“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.