SCHEMBL3056129

SCHEMBL3056129

Cc1nc(-c2ccc(C(=O)N3CCN(c4nc(C(O)c5ccc(Oc6ccccc6)cc5)ns4)CC3C)cc2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MGLL Q99685 1/20 0.39
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SMO Q99835 5/20 0.38
HPGD P15428 1/20 0.37
ACACB O00763 5/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
SLC6A7 Q99884 2/20 0.37
HTR1D P28221 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
SCHEMBL3063142 0.86 SMO (0.38) RAB9AMGLLNPC1SMOSLC6A7
SCHEMBL3062959 0.85 TACR3 (0.47)
SCHEMBL3069078 0.84 TACR3 (0.40) RAB9ANPC1SMOSLC6A7
SCHEMBL3052252 0.82 MEN1 (0.36) RAB9ANPC1SMOSLC6A7
SCHEMBL3063672 0.80 TACR3 (0.40) RAB9ALMNATSHRNPC1TP53
SCHEMBL3064103 0.80 MGLL (0.41) RAB9AMGLLNPC1MAPK1SMO
SCHEMBL3046098 0.79 GRM5 (0.45) RAB9AMGLLNPC1HTTSMO
SCHEMBL3045813 0.79 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2SMOHPGD
SCHEMBL3060860 0.79 NAAA (0.34) RAB9ANPC1SMO
SCHEMBL3055314 0.78 NAAA (0.37) RAB9ALMNATSHRNPC1TP53

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 RAB9A 2845/4885LMNA 1113/4885TSHR 3338/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 RAB9A 2845/4885LMNA 1113/4885TSHR 3338/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 RAB9A 2845/4885LMNA 1113/4885TSHR 3338/4885

“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.