SCHEMBL1007223

SCHEMBL1007223

O=C(Nc1ccccc1)c1ccc(OCCn2nc(C(F)(F)F)c3c2CCCC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
TP53 P04637 4/20 0.51
LMNA P02545 4/20 0.50
TSHR P16473 3/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
THRB P10828 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.48
POLQ O75417 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL1007979 0.90 RAB9A (0.53) MAPTTP53LMNATSHRGAA
SCHEMBL1007194 0.86 ALDH1A1 (0.56) MAPTTP53LMNATSHRGAA
SCHEMBL1009492 0.86 MAPT (0.50) MAPTTP53LMNATSHRGAA
SCHEMBL1893597 0.86 MAPT (0.51) MAPTTP53LMNATSHRGAA
SCHEMBL1897503 0.84 CYP1A2 (0.51) MAPTTP53LMNATSHRGAA
SCHEMBL12666826 0.84 RAB9A (0.46) MAPTTP53LMNATSHRHSD17B10
SCHEMBL1009404 0.84 SMN1; SMN2 (0.55) MAPTTP53LMNATSHRGAA
SCHEMBL1894551 0.82 SMN1; SMN2 (0.56) MAPTTP53LMNATSHRGAA
SCHEMBL1006154 0.82 POLQ (0.47) MAPTTP53LMNATSHRGAA
SCHEMBL1897449 0.81 GRIA2 (0.61) MAPTTP53LMNATSHRGAA

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 MAPT 4623/4885TP53 3973/4885LMNA 4015/4885

“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.