SCHEMBL163608

SCHEMBL163608

CNC(=O)c1csnc1[O]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
GAA P10253 2/20 0.37
PLK1 P53350 1/20 0.35
CASP1 P29466 1/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
MAPK10 P53779 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDC7 O00311 1/20 0.32

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
SCHEMBL166717 0.81 POLB (0.41) GAAHPGDLMNAPOLBKDM4E
SCHEMBL163649 0.78 HTT (0.46) GAAHPGDLMNARAB9ANPC1
SCHEMBL162555 0.72
SCHEMBL162643 0.68 GRM6 (0.33) ALDH1A1
SCHEMBL25102963 0.67 PLK1 (0.36) GAAPLK1CASP1HPGDLMNA
SCHEMBL8570864 0.65
SCHEMBL20900607 0.65 GAA (0.50) GAAPLK1CASP1HPGDALDH1A1
SCHEMBL163284 0.65 ALDH1A1 (0.53) GAALMNARAB9ANPC1POLB
SCHEMBL162197 0.64 PLK1 (0.39) SLC6A2SLC6A4SLC6A3GAAPLK1
SCHEMBL165462 0.64 GAA (0.37) SLC6A2SLC6A4SLC6A3GAAPLK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO 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 (1 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 SLC6A2 3077/4885SLC6A4 3290/4885SLC6A3 1273/4885

“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.