SCHEMBL3052252

SCHEMBL3052252

CC1CN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CCN1C(=O)c1ccc(-n2cccn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADAM17 P78536 4/20 0.35
SLC6A7 Q99884 3/20 0.35
GCGR P47871 1/20 0.35
SMO Q99835 7/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SRD5A2 P31213 1/20 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
SCHEMBL3064103 0.87 MGLL (0.41) MEN1KMT2ANPSR1SLC6A7SMO
SCHEMBL3063142 0.86 SMO (0.38) MEN1KMT2ASLC6A7SMONPC1
SCHEMBL3069078 0.85 TACR3 (0.40) MEN1KMT2ASLC6A7SMONPC1
SCHEMBL3062959 0.83 TACR3 (0.47)
SCHEMBL3056129 0.82 RAB9A (0.39) SLC6A7SMONPC1RAB9A
SCHEMBL3046098 0.80 GRM5 (0.45) MEN1KMT2ASMONPC1RAB9A
SCHEMBL3045813 0.80 ALDH1A1 (0.44) MEN1KMT2APKMSMONPC1
SCHEMBL3052701 0.80 PDE4B (0.41) POLB
SCHEMBL3055311 0.79 NAAA (0.35) SMONPC1RAB9A
SCHEMBL3055314 0.79 NAAA (0.37) MEN1KMT2ANPC1RAB9A

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 1844/4885POLB 3933/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885POLB 3933/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885POLB 3933/4885

“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.