SCHEMBL1008095

SCHEMBL1008095

N=C(NO)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.68
HSD17B10 Q99714 7/20 0.68
ALDH1A1 P00352 7/20 0.68
HPGD P15428 6/20 0.68
MAPK1 P28482 3/20 0.68
TSHR P16473 5/20 0.61
CASP1 P29466 3/20 0.61
CASP7 P55210 2/20 0.61
TP53 P04637 1/20 0.59
MAPT P10636 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
USP2 O75604 1/20 0.57
PKM P14618 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL311925 0.90 KDM4E (0.57) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL3283135 0.84 KDM4E (0.84) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL15760566 0.81 KDM4E (0.78) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL14014111 0.81 KDM4E (1.00) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1008031 0.80 LMNA (0.56) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4203990 0.80 KDM4E (0.72) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1007005 0.79 HSD17B10 (0.51) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1008093 0.79 KDM4E (0.75) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1008092 0.79 KDM4E (0.75) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL6029324 0.79 CDK2 (0.64) KDM4EHSD17B10ALDH1A1HPGDMAPK1

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 KDM4E 3157/4885HSD17B10 2980/4885ALDH1A1 614/4885

“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.