SCHEMBL1006913

SCHEMBL1006913

NC(=O)c1c(NC(=O)c2csc(Cn3nc(C(F)(F)F)c4c3CCCC4)n2)sc2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 13/20 0.55
GRIA2 P42262 2/20 0.49
FLT3 P36888 2/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL1008097 0.89 LMNA (0.43) GRM1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1006589 0.84 TP53 (0.42) GRM1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1007241 0.81 LMNA (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1007231 0.81 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL8000406 0.80 MAPT (0.53) MAPTPOLB
SCHEMBL4152901 0.80 GRM1 (0.81) GRM1GRIA2ALDH1A1MAPTMEN1
SCHEMBL1007831 0.79 LMNA (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1082184 0.79 LMNA (0.43) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL1007802 0.79 GRM1 (0.54) GRM1GRIA2FLT3RAB9ANPC1
SCHEMBL1007919 0.79 LMNA (0.47) GRM1ALDH1A1MAPTSMN1; SMN2

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
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
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 GRM1 2/4885GRIA2 23/4885FLT3 136/4885

“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.