SCHEMBL3065083

SCHEMBL3065083

CC(C)(C)C(=O)N(Cc1csc(N2CCNCC2)n1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.46
BAZ2A Q9UIF9 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 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
SCHEMBL3058545 0.91 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1LMNAHTTMAPT
SCHEMBL3053794 0.90 DNM1L (0.41) SMN1; SMN2MAPK1LMNAHTTMAPT
SCHEMBL3063304 0.90 DNM1L (0.41) SMN1; SMN2MAPK1LMNAHTTMAPT
SCHEMBL3065981 0.90 DNM1L (0.41) SMN1; SMN2MAPK1LMNAHTTMAPT
Hydrochloric Acid SCHEMBL3067985 0.89 DNM1L (0.40) SMN1; SMN2MAPK1LMNAHTTMAPT
SCHEMBL3061649 0.89 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1LMNAHTTMAPT
SCHEMBL3062918 0.89 L3MBTL1 (0.46) AOC3SMN1; SMN2MAPK1LMNAHTT
SCHEMBL3059056 0.88 AR (0.47) SMN1; SMN2MAPK1LMNAHTTMAPT
SCHEMBL3058584 0.87 SMN1; SMN2 (0.40) AOC3SMN1; SMN2MAPK1LMNAHTT
SCHEMBL3057967 0.87 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1LMNAHTTMAPT

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 AOC3 4426/4885BAZ2A 1223/4885SMN1; SMN2 1950/4885

“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.