SCHEMBL1007789

SCHEMBL1007789

NC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CN(C(=O)O)CC3)sc2c1CCCC2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 14/20 0.68
GRIA2 P42262 2/20 0.57
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 2/20 0.50
F2 P00734 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL1008341 0.93 GRM1 (0.71) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL1006807 0.89 GRM1 (0.63) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL4152901 0.88 GRM1 (0.81) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL13108851 0.84 GRM1 (0.67) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL1007297 0.83 GRM1 (0.87) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL1007515 0.82 GRM1 (0.65) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL3452464 0.82 GRM1 (0.60) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL3452157 0.82 GRM1 (0.75) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL1007269 0.81 GRM1 (1.00) GRM1GRIA2ALDH1A1HPGDMEN1
SCHEMBL13108879 0.79 GRM1 (0.68) GRM1GRIA2ALDH1A1HPGDMEN1

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 2 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
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 GRM1 2/4885GRIA2 23/4885ALDH1A1 614/4885

“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.