SCHEMBL1007633

SCHEMBL1007633

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.72
HTT P42858 1/20 0.72
LMNA P02545 5/20 0.57
TSHR P16473 4/20 0.56
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 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
SCHEMBL1007725 0.96 ALDH1A1 (0.67) ALDH1A1HTTLMNATSHRGAA
SCHEMBL1007311 0.85 ALDH1A1 (0.97) ALDH1A1HTTLMNATSHRGAA
SCHEMBL1009356 0.80 SMN1; SMN2 (0.62) ALDH1A1HTTLMNATSHRGAA
SCHEMBL1896723 0.77 ALDH1A1 (0.60) ALDH1A1HTTLMNATSHRGAA
SCHEMBL1006822 0.77 POLB (0.63) ALDH1A1HTTLMNATSHRGAA
SCHEMBL1006457 0.77 SMN1; SMN2 (0.61) ALDH1A1HTTLMNATSHRGAA
SCHEMBL1009463 0.77 SMN1; SMN2 (0.60) ALDH1A1HTTLMNATSHRGAA
SCHEMBL1007484 0.76 ALDH1A1 (0.65) ALDH1A1HTTLMNATSHRGAA
SCHEMBL1006583 0.76 MAPT (0.81) ALDH1A1HTTLMNATSHRGAA
SCHEMBL1009558 0.76 ALDH1A1 (0.61) ALDH1A1HTTLMNATSHRGAA

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 2 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
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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 3487/4885LMNA 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.