SCHEMBL162579

SCHEMBL162579

CNC(=O)c1csc([O])n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.53
NR1I2 O75469 1/20 0.43
AHR P35869 1/20 0.43
HDAC6 Q9UBN7 6/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
TLR7 Q9NYK1 2/20 0.38
BAZ2B Q9UIF8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL2927818 0.80 HPGD (0.56) HPGDRAB9ANPC1POLBGAA
SCHEMBL752656 0.80 RAB9A (0.58) HPGDRAB9ANPC1POLBGAA
SCHEMBL164358 0.79 ALDH1A1 (0.40) HPGDRAB9ANPC1POLBGAA
SCHEMBL163960 0.79 HIF1A (0.42) HPGDRAB9ANPC1POLBGAA
SCHEMBL163035 0.79 NPC1 (0.42) HPGDRAB9ANPC1HDAC6HDAC1
SCHEMBL18236192 0.78 HPGD (0.54) HPGDRAB9ANPC1POLBGAA
SCHEMBL2643154 0.78 RAB9A (0.57) HPGDRAB9ANPC1POLBGAA
Methyl Alcohol SCHEMBL15648146 0.78 TLR7 (0.59) HPGDRAB9ANPC1POLBGAA
SCHEMBL299830 0.78 RAB9A (0.59) HPGDRAB9ANPC1POLBGAA
SCHEMBL2643143 0.78 HPGD (0.54) HPGDRAB9ANPC1POLBGAA

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 2718/4885RAB9A 3460/4885NPC1 1201/4885

“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.