SCHEMBL3063871

SCHEMBL3063871

CC(=O)N(Cc1csc(N2CCCC(O)C2)n1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1L O00429 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 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
SCHEMBL3048456 0.90 DNM1L (0.36) DNM1LSMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL3057927 0.89 DNM1L (0.39) DNM1LSMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL3066965 0.88 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1ALDH1A1MAPTLMNA
SCHEMBL4739012 0.83 GAA (0.40) DNM1LSMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL3048800 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1ALDH1A1MAPTLMNA
SCHEMBL3064198 0.82 SMN1; SMN2 (0.40) DNM1LSMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL3066236 0.82 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1ALDH1A1MAPTLMNA
SCHEMBL3064271 0.81 AR (0.50) DNM1LMAPK1ALDH1A1MAPTLMNA
SCHEMBL3065935 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1ALDH1A1MAPTLMNA
SCHEMBL3053480 0.79 DNM1L (0.37) DNM1LSMN1; SMN2MAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US 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 DNM1L 1372/4885SMN1; SMN2 1950/4885MAPK1 2929/4885

“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.