SCHEMBL1007333

SCHEMBL1007333

O=C(CCCCn1nc(C(F)(F)F)c2c1CCCC2)Nc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
TP53 P04637 4/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.54
ALDH1A1 P00352 1/20 0.54
THRB P10828 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL1008068 0.97 HTT (0.58) MAPTTP53LMNAHTTALDH1A1
SCHEMBL1008333 0.89 ALDH1A1 (0.62) MAPTTP53LMNAHTTALDH1A1
SCHEMBL1008483 0.87 MAPT (0.70) MAPTTP53LMNAHTTTHRB
SCHEMBL1007171 0.86 ALDH1A1 (0.67) MAPTTP53LMNAHTTALDH1A1
SCHEMBL1007323 0.84 MAPT (0.78) MAPTTP53LMNAHTTALDH1A1
SCHEMBL1006911 0.82 ALDH1A1 (0.55) MAPTTP53LMNAHTTALDH1A1
SCHEMBL1009395 0.82 SMN1; SMN2 (0.59) MAPTTP53LMNAHTTALDH1A1
SCHEMBL1007045 0.81 MAPT (0.49) MAPTTP53LMNAHTTALDH1A1
SCHEMBL1008062 0.81 MAPT (0.79) MAPTTP53LMNAHTTALDH1A1
SCHEMBL1006457 0.81 SMN1; SMN2 (0.61) MAPTTP53LMNAHTTALDH1A1

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 6 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
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.