SCHEMBL3055430

SCHEMBL3055430

O=C1CCC(c2ccccc2)(c2nsc(N3CCN(S(=O)(=O)CCCCl)CC3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP11B1 P15538 1/20 0.32
OPRD1 P41143 3/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
SMO Q99835 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL3060345 0.94 MEN1 (0.38) MEN1KMT2ACYP2C9LMNAMAPK1
SCHEMBL3069443 0.91 KMT2A (0.40) MEN1KMT2ACYP2C9LMNAMAPK1
SCHEMBL3056768 0.89 KMT2A (0.39) MEN1KMT2ACYP2C9LMNAMAPK1
SCHEMBL3048930 0.89 KMT2A (0.39) MEN1KMT2ACYP2C9LMNAMAPK1
SCHEMBL3045733 0.89 KMT2A (0.39) MEN1KMT2ACYP2C9LMNAMAPK1
SCHEMBL3067585 0.89 KMT2A (0.39) MEN1KMT2ACYP2C9LMNAMAPK1
SCHEMBL3063799 0.88 KMT2A (0.47) MEN1KMT2ACYP2C9LMNAMAPK1
SCHEMBL3066620 0.86 MEN1 (0.36) MEN1KMT2ACYP2C9LMNAMAPK1
SCHEMBL3055387 0.84 KMT2A (0.37) MEN1KMT2ACYP2C9LMNAMAPK1
SCHEMBL3049325 0.84 KMT2A (0.39) MEN1KMT2ACYP2C9LMNAMAPK1

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 MEN1 799/4885KMT2A 1844/4885CYP2C9 4782/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885CYP2C9 4782/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885CYP2C9 4782/4885

“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.