SCHEMBL162485

SCHEMBL162485

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CRBN Q96SW2 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL14656020 0.82 ACHE (0.64) MAOAACHEMAPTMEN1KMT2A
SCHEMBL496467 0.80 MAOA (0.50) MAOAACHEMAPTMEN1KMT2A
SCHEMBL595766 0.80 MAOA (0.50) MAOAACHEMAPTMEN1KMT2A
SCHEMBL163667 0.79 RAB9A (0.66) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL164289 0.79 CA12 (0.48) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL163269 0.79 HPGDS (0.50) MAOAACHEMAPTMEN1KMT2A
SCHEMBL230453 0.78 MAPT (0.65) MAOAACHEMAPTMEN1KMT2A
SCHEMBL7977200 0.78 MAOA (0.49) MAOAACHEMAPTMEN1KMT2A
SCHEMBL751695 0.78 MAOA (0.49) MAOAACHEMAPTMEN1KMT2A
SCHEMBL9828607 0.78 MAOA (0.49) MAOAACHEMAPTMEN1KMT2A

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 MAOA 1531/4885ACHE 21/4885MAPT 261/4885

“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.