SCHEMBL162580

SCHEMBL162580

CCCNC(=O)c1csnc1[O]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
MAOB P27338 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL164518 0.90 TSHR (0.56) HPGDSMN1; SMN2L3MBTL1TSHRHTT
SCHEMBL161552 0.86 KMT2A (0.40) HPGDL3MBTL1KMT2ATSHRHTT
SCHEMBL163649 0.79 HTT (0.46) HPGDSMN1; SMN2POLBRECQLKMT2A
SCHEMBL163608 0.78 SLC6A2 (0.37) HPGDSMN1; SMN2POLBALDH1A1GAA
SCHEMBL166717 0.75 POLB (0.41) HPGDSMN1; SMN2POLBL3MBTL1KMT2A
SCHEMBL162070 0.73
SCHEMBL161102 0.71 POLB (0.43) HPGDSMN1; SMN2POLBL3MBTL1THRB
SCHEMBL162239 0.71 POLB (0.47) HPGDSMN1; SMN2POLBL3MBTL1THRB
SCHEMBL162639 0.71 ALDH1A1 (0.51) SMN1; SMN2L3MBTL1TDP1HSD17B10TSHR
SCHEMBL164391 0.71 MAPT (0.39) HPGDSMN1; SMN2POLBKMT2AHSD17B10

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 HPGD 2718/4885SMN1; SMN2 1/4885POLB 690/4885

“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.