SCHEMBL3045864

SCHEMBL3045864

Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4ccc(-c5csc(C)n5)cc4)C(C)C3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 3/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
DVL1 O14640 1/20 0.39
KCNQ1 P51787 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.36
LTA4H P09960 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL3054414 0.90 ALDH1A1 (0.40) ALDH1A1LMNATSHRNPSR1GAA
SCHEMBL3052084 0.90 ALDH1A1 (0.50) ALDH1A1LMNAHTTTSHRNPSR1
SCHEMBL2007089 0.89 ALDH1A1 (0.42) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL3058986 0.88 POLB (0.38) ALDH1A1TSHRMMP1MMP3MMP7
SCHEMBL3052047 0.86 ALDH1A1 (0.40) ALDH1A1TSHRNPSR1GAACNR1
SCHEMBL12569122 0.85 HSD11B1 (0.45) ALDH1A1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL2007974 0.85 HSD11B1 (0.43) ALDH1A1TSHRGAACNR1
SCHEMBL4685105 0.85 HSD11B1 (0.43) ALDH1A1TSHRGAACNR1
SCHEMBL2010440 0.85 PSEN1 (0.42) ALDH1A1TSHRKDM4EGAACNR1
SCHEMBL13270904 0.85 ALDH1A1 (0.39) ALDH1A1LMNATSHRNPSR1L3MBTL1

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 1930/4885LMNA 1113/4885HTT 2/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885LMNA 1113/4885HTT 2/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885LMNA 1113/4885HTT 2/4885

“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.