SCHEMBL164300

SCHEMBL164300

CC(C)NC(=O)c1nc(O)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.38
HDAC4 P56524 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
ALOX5 P09917 1/20 0.36
MLLT1 Q03111 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL161193 0.82 NPC1 (0.37) MLYCDHDAC4NPC1RAB9ATSHR
SCHEMBL162569 0.78 HTT (0.44) MLYCDHDAC4NPC1RAB9AMAOB
SCHEMBL15221458 0.78 HDAC4 (0.35) MLYCDHDAC4NPC1RAB9ATSHR
SCHEMBL162174 0.75 HDAC4 (0.38) HDAC4NPC1ALOX15NPSR1HPGD
SCHEMBL164834 0.70
SCHEMBL24848645 0.69 NPC1 (0.41) HDAC4NPC1RAB9ATSHRFDPS
SCHEMBL164108 0.69
SCHEMBL13631425 0.68 NPC1 (0.43) NPC1RAB9ATSHRALOX15CASP1
SCHEMBL161890 0.68 NPC1 (0.43) HDAC4NPC1RAB9ATSHRALOX15
SCHEMBL159628 0.67 MEN1 (0.43) NPC1RAB9ATSHRMAOAMAOB

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 MLYCD 488/4885HDAC4 2500/4885NPC1 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.