SCHEMBL1007979

SCHEMBL1007979

O=C(Nc1cccnc1)c1ccc(OCCn2nc(C(F)(F)F)c3c2CCCC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MAPT P10636 7/20 0.47
TP53 P04637 4/20 0.46
LMNA P02545 2/20 0.46
EPHX2 P34913 1/20 0.45
RECQL P46063 1/20 0.45
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL1007223 0.90 MAPT (0.53) MAPTTP53LMNAPOLBTSHR
SCHEMBL1009492 0.82 MAPT (0.50) RAB9ANPC1MAPTTP53LMNA
SCHEMBL12666826 0.82 RAB9A (0.46) RAB9ANPC1MAPTTP53LMNA
SCHEMBL1893597 0.82 MAPT (0.51) MAPTTP53LMNAPOLBTSHR
SCHEMBL1007194 0.81 ALDH1A1 (0.56) MAPTTP53LMNATSHRSMN1; SMN2
SCHEMBL1897503 0.81 CYP1A2 (0.51) MAPTTP53LMNATSHRSMN1; SMN2
SCHEMBL8003022 0.80 MAPT (0.49) MAPTTP53LMNAGSK3BKMT2A
SCHEMBL1009404 0.80 SMN1; SMN2 (0.55) MAPTTP53LMNAKMT2APOLB
SCHEMBL1008068 0.79 HTT (0.58) MAPTTP53LMNAKMT2APOLB
SCHEMBL1008025 0.79 MAPT (0.53) MAPTTP53LMNAEPHX2KMT2A

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 RAB9A 1932/4885NPC1 3596/4885MAPT 4623/4885

“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.