SCHEMBL1894501

SCHEMBL1894501

O=C(Nc1nccs1)c1cccc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
MAPT P10636 7/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 5/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SIRT2 Q8IXJ6 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
SCHEMBL1005501 0.87 LMNA (0.45) PARP1MAPTLMNATP53TSHR
SCHEMBL1005209 0.85 MAPT (0.52) MAPTLMNATP53TSHRGAA
SCHEMBL1006821 0.84 MAPT (0.53) MAPTLMNATP53TSHRGAA
SCHEMBL1006093 0.84 MAPT (0.57) MAPTLMNATP53TSHRGAA
SCHEMBL1008195 0.82 POLB (0.51) MAPTNPC1RAB9ALMNATP53
SCHEMBL1008025 0.82 MAPT (0.53) MAPTLMNATP53TSHRMEN1
SCHEMBL12666779 0.81 POLB (0.52) MAPTRAB9ALMNATP53TSHR
SCHEMBL1893494 0.81 POLB (0.54) MAPTLMNATP53TSHRGAA
SCHEMBL1009106 0.81 GRIA2 (0.54) MAPTLMNATP53TSHRGAA
SCHEMBL1062772 0.81 MAPT (0.51) MAPTNPC1RAB9ALMNATP53

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
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
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 PARP1 1561/4885MAPT 4623/4885NPC1 3596/4885

“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.