SCHEMBL3054419

SCHEMBL3054419

O=C(NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
GAA P10253 9/20 0.47
HSD17B10 Q99714 8/20 0.47
LMNA P02545 8/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
ALPG P10696 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
ALOX15 P16050 4/20 0.47
ALOX12 P18054 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
TP53 P04637 5/20 0.40
MPI P34949 1/20 0.40
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3066676 0.71 FAAH (0.62) LMNAALDH1A1MAPTPOLBFAAH
SCHEMBL3060546 0.70 FAAH (0.54) FAAHPDGFRB
SCHEMBL3050205 0.70 FAAH (0.54) LMNAALDH1A1MAPTFAAHPDGFRB
SCHEMBL3055128 0.70 FAAH (0.51) FAAHPDGFRB
SCHEMBL3050015 0.70 FAAH (0.51) HSD17B10SMN1; SMN2ALDH1A1TSHRFAAH
SCHEMBL3056231 0.69 GALR3 (0.48) MAPTPOLBFAAHPDGFRBCNR1
SCHEMBL3067575 0.69 FAAH (0.46) MAPTPOLBFAAHCNR1
SCHEMBL3058771 0.68 FAAH (0.54) GAALMNASMN1; SMN2MAPTTP53
SCHEMBL3053528 0.68 SCN9A (0.50) KDM4EMAPT
SCHEMBL3064839 0.67 TLR7 (0.40) GAALMNASMN1; SMN2ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 KDM4E 4164/4885GAA 203/4885HSD17B10 1073/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885GAA 203/4885HSD17B10 1073/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885GAA 203/4885HSD17B10 1073/4885

“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.