SCHEMBL1007802

SCHEMBL1007802

NC(=O)c1c(NC(=O)c2ccnc(Cn3nc(C(F)(F)F)c4c3CCCC4)c2)sc2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 5/20 0.54
FLT3 P36888 12/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 2/20 0.53
GRIA2 P42262 1/20 0.50
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1006991 0.89 MAPT (0.44) GRM1FLT3NPC1RAB9AALDH1A1
SCHEMBL1009773 0.81 MAPT (0.49) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL1009744 0.81 MAPT (0.52) MAPTPOLB
SCHEMBL1006846 0.80 SMN1; SMN2 (0.48) MAPTSMN1; SMN2GRIA2MEN1KMT2A
SCHEMBL1005501 0.80 LMNA (0.45) GRM1MAPTSMN1; SMN2
SCHEMBL12674317 0.79 MAPT (0.48) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL1007814 0.79 LMNA (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1006913 0.79 GRM1 (0.55) GRM1FLT3NPC1RAB9AALDH1A1
SCHEMBL1083677 0.79 POLB (0.44) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL1007169 0.78 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2POLBMEN1

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-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
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 2/4885FLT3 136/4885NPC1 3596/4885

“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.