SCHEMBL1009641

SCHEMBL1009641

O=C(c1ccc(OCCn2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.41
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
KCNJ2 P63252 1/20 0.40
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.39
GRIA2 P42262 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.38
SRC P12931 1/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL1006588 0.82 POLQ (0.42) POLQTSHRSMN1; SMN2LMNAMAPT
SCHEMBL1897449 0.79 GRIA2 (0.61) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL1008156 0.77 KCNJ2 (0.41) POLQTSHRLMNAMAPTKCNJ2
SCHEMBL1007194 0.77 ALDH1A1 (0.56) POLQTSHRSMN1; SMN2LMNAMAPT
SCHEMBL1009404 0.74 SMN1; SMN2 (0.55) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL1007672 0.74 GRIA2 (0.61) POLQTSHRSMN1; SMN2LMNAMAPT
SCHEMBL1893597 0.73 MAPT (0.51) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL1007223 0.73 MAPT (0.53) POLQTSHRSMN1; SMN2LMNAMAPT
SCHEMBL1007390 0.72 GRIA2 (0.49) POLQTSHRSMN1; SMN2LMNAMAPT
SCHEMBL1897503 0.72 CYP1A2 (0.51) TSHRSMN1; SMN2LMNAMAPTGAA

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 POLQ 3429/4885TSHR 134/4885SMN1; SMN2 3616/4885

“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.