SCHEMBL1894039

SCHEMBL1894039

COCc1cccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.70
POLB P06746 4/20 0.59
TP53 P04637 3/20 0.59
MAPT P10636 8/20 0.58
LMNA P02545 3/20 0.58
TSHR P16473 3/20 0.58
GAA P10253 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL1006458 0.89 SMN1; SMN2 (0.79) SMN1; SMN2POLBTP53MAPTLMNA
SCHEMBL1007554 0.88 SMN1; SMN2 (0.68) SMN1; SMN2POLBTP53MAPTLMNA
SCHEMBL1895893 0.87 SMN1; SMN2 (0.67) SMN1; SMN2POLBTP53MAPTLMNA
SCHEMBL1007256 0.86 MAPT (0.72) SMN1; SMN2POLBTP53MAPTLMNA
SCHEMBL1007522 0.85 SMN1; SMN2 (0.76) SMN1; SMN2POLBTP53MAPTLMNA
SCHEMBL1008272 0.84 SMN1; SMN2 (0.67) SMN1; SMN2POLBTP53MAPTLMNA
SCHEMBL1008041 0.84 SMN1; SMN2 (0.98) SMN1; SMN2POLBTP53MAPTLMNA
SCHEMBL1007905 0.84 SMN1; SMN2 (0.83) SMN1; SMN2POLBTP53MAPTLMNA
SCHEMBL1008020 0.83 SMN1; SMN2 (0.76) SMN1; SMN2POLBTP53MAPTLMNA
SCHEMBL1006721 0.83 SMN1; SMN2 (1.00) SMN1; SMN2POLBTP53MAPTLMNA

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
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 SMN1; SMN2 3616/4885POLB 3571/4885TP53 3973/4885

“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.