SCHEMBL3045733

SCHEMBL3045733

CCCCCCCCS(=O)(=O)N1CCN(c2nc(C3(c4ccccc4)CCC(=O)CC3)ns2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.35
GLA P06280 1/20 0.34
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 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
SCHEMBL3056768 1.00 KMT2A (0.39) KMT2AMEN1LMNAMAPK1KDM4E
SCHEMBL3048930 1.00 KMT2A (0.39) KMT2AMEN1LMNAMAPK1KDM4E
SCHEMBL3067585 1.00 KMT2A (0.39) KMT2AMEN1LMNAMAPK1KDM4E
SCHEMBL3069443 0.96 KMT2A (0.40) KMT2AMEN1LMNAMAPK1KDM4E
SCHEMBL3063799 0.91 KMT2A (0.47) KMT2AMEN1LMNAMAPK1KDM4E
SCHEMBL3055430 0.89 MEN1 (0.36) KMT2AMEN1LMNAMAPK1KDM4E
SCHEMBL3060345 0.87 MEN1 (0.38) KMT2AMEN1LMNAMAPK1KDM4E
SCHEMBL3066620 0.85 MEN1 (0.36) KMT2AMEN1LMNAMAPK1KDM4E
SCHEMBL3049325 0.84 KMT2A (0.39) KMT2AMEN1LMNAMAPK1KDM4E
SCHEMBL3055387 0.83 KMT2A (0.37) KMT2AMEN1LMNAMAPK1CYP2C9

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 KMT2A 1844/4885MEN1 799/4885LMNA 1113/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KMT2A 1844/4885MEN1 799/4885LMNA 1113/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KMT2A 1844/4885MEN1 799/4885LMNA 1113/4885

“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.