SCHEMBL1895101

SCHEMBL1895101

O=C(Nc1cccc(Cl)c1)c1ccccc1Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
TP53 P04637 6/20 0.69
LMNA P02545 3/20 0.69
THRB P10828 2/20 0.54
POLB P06746 4/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1006940 0.90 POLB (0.56) MAPTTP53LMNATHRBPOLB
SCHEMBL1895564 0.87 TSHR (0.54) MAPTTP53LMNATHRBPOLB
SCHEMBL1007124 0.85 POLB (0.54) MAPTTP53LMNATHRBPOLB
SCHEMBL1007292 0.85 POLB (0.52) MAPTTP53LMNATHRBPOLB
SCHEMBL1895488 0.84 MAPT (0.69) MAPTTP53LMNATHRBPOLB
SCHEMBL1895799 0.82 SMN1; SMN2 (0.56) MAPTTP53LMNATHRBPOLB
SCHEMBL1008056 0.82 MAPT (1.00) MAPTTP53LMNATHRBPOLB
SCHEMBL1895205 0.82 POLB (0.58) MAPTTP53LMNAPOLBSMN1; SMN2
SCHEMBL1894182 0.81 POLB (0.59) MAPTTP53LMNATHRBPOLB
SCHEMBL8003781 0.81 POLB (0.61) MAPTTP53LMNAPOLBSMN1; SMN2

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 MAPT 4623/4885TP53 3973/4885LMNA 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.