SCHEMBL1006739

SCHEMBL1006739

O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 3/20 0.61
MAPT P10636 5/20 0.60
LMNA P02545 4/20 0.60
TP53 P04637 3/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
TSHR P16473 3/20 0.59
GAA P10253 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLQ O75417 1/20 0.59
THRB P10828 1/20 0.57

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
SCHEMBL1006301 0.98 TDP1 (0.69) TDP1SMN1; SMN2POLBMAPTLMNA
SCHEMBL1007522 0.89 SMN1; SMN2 (0.76) TDP1SMN1; SMN2POLBMAPTLMNA
SCHEMBL1008020 0.87 SMN1; SMN2 (0.76) TDP1SMN1; SMN2POLBMAPTLMNA
SCHEMBL1005696 0.84 TDP1 (0.61) TDP1SMN1; SMN2POLBMAPTLMNA
SCHEMBL1009320 0.81 SMN1; SMN2 (0.76) TDP1SMN1; SMN2POLBMAPTLMNA
SCHEMBL1007309 0.81 SMN1; SMN2 (0.76) TDP1SMN1; SMN2POLBMAPTLMNA
SCHEMBL1895893 0.81 SMN1; SMN2 (0.67) TDP1SMN1; SMN2POLBMAPTLMNA
SCHEMBL1006724 0.81 SMN1; SMN2 (0.67) TDP1SMN1; SMN2POLBMAPTLMNA
SCHEMBL1007256 0.80 MAPT (0.72) TDP1SMN1; SMN2POLBMAPTLMNA
SCHEMBL1007554 0.80 SMN1; SMN2 (0.68) TDP1SMN1; SMN2POLBMAPTLMNA

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 TDP1 3371/4885SMN1; SMN2 3616/4885POLB 3571/4885

“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.