SCHEMBL161193

SCHEMBL161193

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
TSHR P16473 3/20 0.37
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
HDAC4 P56524 1/20 0.35
MLYCD O95822 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
CNR1 P21554 1/20 0.34
HPGD P15428 2/20 0.33
FDPS P14324 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 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
SCHEMBL159628 0.83 MEN1 (0.43) NPC1RAB9ATSHRMAOAMAOB
SCHEMBL164300 0.82 MLYCD (0.38) NPC1RAB9ATSHRALOX15CASP1
SCHEMBL160114 0.79 PLK1 (0.33) TSHRHDAC4SMN1; SMN2ALDH1A1HTT
SCHEMBL15221458 0.78 HDAC4 (0.35) NPC1RAB9ATSHRALOX15CASP1
SCHEMBL158297 0.78 HTT (0.44) NPC1RAB9AMAOBHDAC4MLYCD
SCHEMBL163237 0.76 NPSR1 (0.41) TSHRALDH1A1HPGDMAPTKDM4E
SCHEMBL162057 0.75 CA12 (0.38) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL162173 0.75 KDM4E (0.37) NPC1ALOX15HDAC4CNR1HPGD
SCHEMBL164299 0.72 POLB (0.44) NPC1RAB9AMAOBSMN1; SMN2ALDH1A1
SCHEMBL161890 0.71 NPC1 (0.43) NPC1RAB9ATSHRALOX15CASP1

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 NPC1 1201/4885RAB9A 3460/4885TSHR 4862/4885

“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.