SCHEMBL1007002

SCHEMBL1007002

Cc1cc(C(F)(F)F)n2ncc(/C(N)=N/O)c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD11B1 P28845 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 1/20 0.42
GAA P10253 2/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1007003 1.00 HSD17B10 (0.51) HSD17B10MAPTPOLBKDM4EALDH1A1
SCHEMBL1008028 0.85 LMNA (0.53) HSD17B10MAPTPOLBKDM4EALDH1A1
SCHEMBL1007592 0.85 LMNA (0.53) HSD17B10MAPTPOLBKDM4EALDH1A1
SCHEMBL1007293 0.85 LMNA (0.47) HSD17B10MAPTPOLBKDM4EALDH1A1
SCHEMBL1007294 0.85 LMNA (0.47) HSD17B10MAPTPOLBKDM4EALDH1A1
SCHEMBL1008003 0.82 KDM4E (0.63) HSD17B10MAPTPOLBKDM4EALDH1A1
SCHEMBL1008002 0.82 KDM4E (0.63) HSD17B10MAPTPOLBKDM4EALDH1A1
SCHEMBL1008092 0.79 KDM4E (0.75) HSD17B10MAPTKDM4EALDH1A1HPGD
SCHEMBL1008093 0.79 KDM4E (0.75) HSD17B10MAPTKDM4EALDH1A1HPGD
SCHEMBL6515244 0.79 KDM4E (0.43) HSD17B10MAPTPOLBKDM4EALDH1A1

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 2 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
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 HSD17B10 2980/4885MAPT 4623/4885POLB 3571/4885

“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.