SCHEMBL3055707

SCHEMBL3055707

COC(=O)c1cnc(C)nc1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 2/20 0.35
SPR P35270 1/20 0.35
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL1014652 0.79 ALDH1A1 (0.45) ATMNFKB1NFKB2RELANPC1
SCHEMBL8590367 0.79 RAB9A (0.47) NPSR1ATMNFKB1NFKB2RELA
SCHEMBL22120120 0.77 ATM (0.41) NPSR1ATMNFKB1NFKB2RELA
SCHEMBL3618934 0.76 LMNA (0.46) ATMNFKB1NFKB2RELANPC1
SCHEMBL26287659 0.76 NPSR1 (0.47) NPSR1ATMNPC1MAPTSMN1; SMN2
SCHEMBL22476599 0.75 NPSR1 (0.50) NPSR1ATMRAB9ASMN1; SMN2L3MBTL1
SCHEMBL7452572 0.72 NPSR1 (0.47) NPSR1ATMMAPTRAB9ASMN1; SMN2
SCHEMBL31500546 0.72 NPSR1 (0.47) NPSR1ATMMAPTRAB9ASMN1; SMN2
SCHEMBL4865908 0.72 NPSR1 (0.47) NPSR1ATMRAB9ASMN1; SMN2L3MBTL1
SCHEMBL16659002 0.72 NPC1 (0.34) NPC1RAB9AKMT2A

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 NPSR1 1776/4885ATM 1271/4885NFKB1 2507/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NPSR1 1776/4885ATM 1271/4885NFKB1 2507/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NPSR1 1776/4885ATM 1271/4885NFKB1 2507/4885

“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.