SCHEMBL1007635

SCHEMBL1007635

O=C(CCCn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
ALDH1A1 P00352 2/20 0.60
HTT P42858 1/20 0.60
TSHR P16473 3/20 0.59
GAA P10253 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 5/20 0.58
MAPT P10636 9/20 0.53
THRB P10828 2/20 0.52
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 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
SCHEMBL1005826 0.97 POLB (0.60) POLBALDH1A1HTTTSHRGAA
SCHEMBL1006822 0.90 POLB (0.63) POLBALDH1A1HTTTSHRGAA
SCHEMBL1006135 0.87 POLB (0.62) POLBALDH1A1HTTTSHRGAA
SCHEMBL1007171 0.87 ALDH1A1 (0.67) POLBALDH1A1HTTTSHRGAA
SCHEMBL1008333 0.84 ALDH1A1 (0.62) POLBALDH1A1HTTTSHRGAA
SCHEMBL1007750 0.83 ALDH1A1 (0.59) POLBALDH1A1HTTTSHRGAA
SCHEMBL1896832 0.82 POLB (0.55) POLBALDH1A1HTTTSHRGAA
SCHEMBL1057420 0.82 MAPT (0.62) POLBALDH1A1HTTTSHRGAA
SCHEMBL1008068 0.80 HTT (0.58) POLBALDH1A1HTTSMN1; SMN2TP53
SCHEMBL1006911 0.80 ALDH1A1 (0.55) POLBALDH1A1HTTTSHRGAA

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

“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.