SCHEMBL3058041

SCHEMBL3058041

O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCCN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.35
USP9X Q93008 1/20 0.34
ADAM17 P78536 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
FAAH O00519 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 5/20 0.33

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
SCHEMBL3058392 0.91 SMN1; SMN2 (0.45) PTGDRSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL3064525 0.86 SMN1; SMN2 (0.42) PTGDRSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL3051116 0.85 L3MBTL1 (0.51) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL3060136 0.84 MAPT (0.43) SMN1; SMN2LMNAALDH1A1HTTPKM
SCHEMBL3066650 0.84 KMT2A (0.46) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL3054766 0.83 POLB (0.40) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL3054778 0.82 MAPT (0.49) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL3053342 0.81 ALDH1A1 (0.37) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL3058527 0.81 ALDH1A1 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL3048997 0.80 DCTPP1 (0.34) SMN1; SMN2LMNAALDH1A1TSHRHTT

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 PTGDR 1086/4885SMN1; SMN2 4/4885LMNA 1113/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PTGDR 1086/4885SMN1; SMN2 4/4885LMNA 1113/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PTGDR 1086/4885SMN1; SMN2 4/4885LMNA 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.