SCHEMBL3045584

SCHEMBL3045584

CN(C)c1ccc(CC(c2ccc(N)cc2)c2nsc(N3CCN(S(=O)(=O)c4ccc(C(=O)O)c(O)c4)CC3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 6/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
POLB P06746 1/20 0.33
STAT3 P40763 3/20 0.33
STAT5B P51692 2/20 0.33
TP53 P04637 1/20 0.33
PKLR P30613 1/20 0.32
STAT1 P42224 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GFER P55789 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL3069190 0.88 KMT2A (0.46) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3055757 0.86 ALDH1A1 (0.37) ALDH1A1ALOX15SMN1; SMN2HSD17B10MAPT
SCHEMBL3063679 0.85 ACHE (0.42) ALDH1A1ALOX15SMN1; SMN2HSD17B10MAPT
SCHEMBL3064709 0.85 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2HSD17B10MAPT
SCHEMBL3056790 0.84 PKM (0.36) ALDH1A1ALOX15SMN1; SMN2HSD17B10MAPT
SCHEMBL3055699 0.84 TP53 (0.46) ALDH1A1MEN1KMT2APOLBTP53
SCHEMBL3049552 0.84 THRB (0.38) ALDH1A1ALOX15SMN1; SMN2HSD17B10MAPT
SCHEMBL3059848 0.84 GAA (0.38) ALDH1A1ALOX15SMN1; SMN2HSD17B10MAPT
SCHEMBL3054042 0.83 NR3C1 (0.37) ALDH1A1ALOX15SMN1; SMN2HSD17B10MEN1
SCHEMBL3045610 0.83 KMT2A (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E

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 ALDH1A1 1930/4885ALOX15 710/4885SMN1; SMN2 4/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885ALOX15 710/4885SMN1; SMN2 4/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885ALOX15 710/4885SMN1; SMN2 4/4885

“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.