SCHEMBL3048926

SCHEMBL3048926

CC(C)(C)C(=O)N(Cc1csc(N2CCC(O)CC2)n1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 4/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
HRH3 Q9Y5N1 1/20 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
TDP1 Q9NUW8 1/20 0.34
SCD O00767 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL3057967 0.92 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1NPC1RAB9AMAPK1
SCHEMBL3058584 0.90 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1NPC1RAB9AMAPK1
SCHEMBL3058545 0.90 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1NPC1RAB9AMAPK1
SCHEMBL3066965 0.89 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1NPC1RAB9AMAPK1
SCHEMBL3053794 0.89 DNM1L (0.41) SMN1; SMN2L3MBTL1MAPK1LMNAHTT
SCHEMBL3063304 0.89 DNM1L (0.41) SMN1; SMN2L3MBTL1MAPK1LMNAHTT
SCHEMBL3065981 0.89 DNM1L (0.41) SMN1; SMN2L3MBTL1MAPK1LMNAHTT
SCHEMBL3063712 0.89 HRH3 (0.39) SMN1; SMN2L3MBTL1NPC1RAB9AMAPK1
SCHEMBL3048456 0.89 DNM1L (0.36) SMN1; SMN2L3MBTL1NPC1RAB9AMAPK1
SCHEMBL3061649 0.88 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1NPC1RAB9AMAPK1

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 7 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
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 SMN1; SMN2 1950/4885L3MBTL1 3453/4885NPC1 481/4885

“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.