SCHEMBL3059409

SCHEMBL3059409

C=C(C)Cn1c(N)cc(=O)[nH]c1=S

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
GAA P10253 4/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
MPO P05164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TPO P07202 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL4803924 0.84 ALDH1A1 (0.51) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL1958327 0.74 MTNR1A (0.52) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL562714 0.72 MTNR1A (0.57) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL7187029 0.71 MTNR1A (0.56) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL1960768 0.70 GAA (0.56) MTNR1AMTNR1BGAAMAPK1ALDH1A1
Amisometradine SCHEMBL309300 0.68 ALDH1A1 (0.57) GAAMAPK1ALDH1A1KMT2ACYP3A4
SCHEMBL1960103 0.68 KMT2A (0.63) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL2454086 0.67 MTNR1A (0.45) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL2454465 0.67 MTNR1A (0.55) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL1959337 0.67 MTNR1A (1.00) MTNR1AMTNR1BGAAMAPK1ALDH1A1

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 MTNR1A 2388/4885MTNR1B 1923/4885GAA 203/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MTNR1A 2388/4885MTNR1B 1923/4885GAA 203/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MTNR1A 2388/4885MTNR1B 1923/4885GAA 203/4885

“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.