SCHEMBL3051645

SCHEMBL3051645

CCOC(=O)c1c(N)ccnc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
IDO1 P14902 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL1178609 0.84 HSD17B10 (0.60) HSD17B10HTTKDM4EALDH1A1MAPT
SCHEMBL16857402 0.83 KDM4E (0.46) HSD17B10HTTKDM4EALDH1A1MAPT
SCHEMBL6736122 0.80 KDM4E (0.43) HSD17B10HTTKDM4EALDH1A1MAPT
SCHEMBL16857349 0.79 KDM4E (0.41) HSD17B10HTTKDM4EALDH1A1MAPT
SCHEMBL6738647 0.79 KDM4E (0.42) HSD17B10HTTKDM4EALDH1A1MAPT
SCHEMBL1178696 0.77 HSD17B10 (0.71) HSD17B10HTTKDM4EALDH1A1MAPT
SCHEMBL25840262 0.76 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10363068 0.76 KDM4E (0.51) HSD17B10KDM4EALDH1A1MAPTHPGD
SCHEMBL16857456 0.75 KDM4E (0.53) HTTKDM4EALDH1A1MAPTHPGD
SCHEMBL10370830 0.74 KDM4E (0.55) HSD17B10HTTKDM4EALDH1A1MAPT

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-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 EP disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US 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 (4 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSD17B10 1073/4885HTT 2/4885KDM4E 4164/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSD17B10 1073/4885HTT 2/4885KDM4E 4164/4885
US-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 HSD17B10 356/4885HTT 3357/4885KDM4E 2873/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSD17B10 1073/4885HTT 2/4885KDM4E 4164/4885

“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.