SCHEMBL1005372

SCHEMBL1005372

CCn1ncc(NC(=O)CCCn2nc(C(F)(F)F)c3c2CCCC3)c1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
POLB P06746 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 6/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 4/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1008407 0.97 ALDH1A1 (0.50) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL1007243 0.89 POLB (0.63) POLBSMN1; SMN2MAPTGAALMNA
SCHEMBL1008257 0.84 LMNA (0.45) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL12666862 0.84 MEN1 (0.44) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL1008136 0.81 POLB (0.61) POLBSMN1; SMN2MAPTGAALMNA
SCHEMBL1005566 0.81 SMN1; SMN2 (0.44) POLBSMN1; SMN2MAPTGAALMNA
SCHEMBL12674148 0.79 MAPT (0.55) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL1006822 0.79 POLB (0.63) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL1008389 0.79 ALDH1A1 (0.55) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL1082184 0.78 LMNA (0.43) POLBSMN1; SMN2MAPTGAALMNA

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 3 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
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 ALDH1A1 614/4885HTT 3487/4885POLB 3571/4885

“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.