SCHEMBL3058858

SCHEMBL3058858

CN(c1ccccc1)c1nc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP13 P45452 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3063760 0.96 GRM1 (0.37) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL3068075 0.93 MAPT (0.35) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8173447 0.92 NPC1 (0.42) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL3059140 0.90 MEN1 (0.45) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL3068329 0.90 GRIN2A (0.39) MAPTMAPK1ADRB2ADRB1ADRB3
SCHEMBL3059269 0.89 KMT2A (0.42) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL3055945 0.88 MEN1 (0.41) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL3064265 0.87 POLB (0.46) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL3060134 0.85 POLB (0.36) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3065115 0.84 GRIN1 (0.42) NPC1RAB9AGRM1CASP3SENP8

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 MEN1 2337/4885KMT2A 2712/4885SMN1; 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.