SCHEMBL1007600

SCHEMBL1007600

Cn1ccc(NC(=O)CCCCn2nc(C(F)(F)F)c3c2CCCC3)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 8/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1896723 0.97 ALDH1A1 (0.60) ALDH1A1HTTMAPTSMN1; SMN2TP53
SCHEMBL1894400 0.88 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2TP53CYP1A2
SCHEMBL1006911 0.83 ALDH1A1 (0.55) ALDH1A1HTTMAPTSMN1; SMN2TP53
SCHEMBL1008333 0.83 ALDH1A1 (0.62) ALDH1A1HTTMAPTTP53CYP1A2
SCHEMBL1006135 0.82 POLB (0.62) ALDH1A1HTTMAPTSMN1; SMN2TP53
SCHEMBL1008280 0.82 MAPT (0.49) ALDH1A1HTTMAPTSMN1; SMN2TP53
SCHEMBL1006457 0.81 SMN1; SMN2 (0.61) ALDH1A1HTTMAPTSMN1; SMN2TP53
SCHEMBL1005826 0.80 POLB (0.60) ALDH1A1HTTMAPTSMN1; SMN2TP53
SCHEMBL1007750 0.80 ALDH1A1 (0.59) ALDH1A1HTTMAPTSMN1; SMN2TP53
SCHEMBL1007171 0.80 ALDH1A1 (0.67) ALDH1A1HTTMAPTTP53CYP1A2

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
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 ALDH1A1 614/4885HTT 3487/4885MAPT 4623/4885

“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.