SCHEMBL1895449

SCHEMBL1895449

O=C(CCCCn1nc(C(F)(F)F)c2c1CCCC2)NCCCn1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
IDE P14735 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL1007915 0.97 ALDH1A1 (0.56) LMNAALDH1A1HTTTDP1L3MBTL1
SCHEMBL1009396 0.84 LMNA (0.51) LMNAALDH1A1HTTTDP1L3MBTL1
SCHEMBL1007202 0.79 MEN1 (0.49) LMNAALDH1A1TDP1POLBTP53
SCHEMBL1008037 0.78 KMT2A (0.52) LMNAL3MBTL1POLBSMN1; SMN2TSHR
SCHEMBL8217276 0.77 GRM1 (0.59) LMNAALDH1A1L3MBTL1MAPTTP53
SCHEMBL1007333 0.74 MAPT (0.55) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL1008333 0.74 ALDH1A1 (0.62) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL1007600 0.74 ALDH1A1 (0.56) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL1006091 0.73 ALDH1A1 (0.61) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL1007725 0.73 ALDH1A1 (0.67) LMNAALDH1A1HTTTDP1POLB

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 4 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

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 LMNA 4015/4885ALDH1A1 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.