SCHEMBL1007833

SCHEMBL1007833

Cc1sc(NC(=O)c2ccc(OCCn3nc(C(F)(F)F)c4c3CCCC4)cc2)c(C(N)=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 1/20 0.46
FLT3 P36888 3/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GRM1 Q13255 1/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1007245 0.88 ALDH1A1 (0.48) FLT3MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL1893597 0.82 MAPT (0.51) MAPTSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL1006991 0.81 MAPT (0.44) GRIN2CFLT3MAPTNPC1RAB9A
SCHEMBL12674197 0.81 SMN1; SMN2 (0.48) MAPTRAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL1009492 0.80 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1008434 0.80 LMNA (0.46) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL1006092 0.80 ALDH1A1 (0.54) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL1007223 0.79 MAPT (0.53) MAPTSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL3453384 0.79 LMNA (0.64) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL1007326 0.79 MAPT (0.49) MAPTSMN1; SMN2LMNATSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 GRIN2C 12/4885FLT3 136/4885MAPT 4623/4885

“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.