SCHEMBL19844751

SCHEMBL19844751

Cc1ccc(-c2noc(-c3cccs3)n2)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.72
RAB9A P51151 10/20 0.72
SMN1; SMN2 Q16637 9/20 0.72
MAPK1 P28482 3/20 0.72
TDP1 Q9NUW8 1/20 0.72
TP53 P04637 5/20 0.66
ALDH1A1 P00352 5/20 0.66
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 2/20 0.66
RELA Q04206 2/20 0.66
LMNA P02545 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53

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
SCHEMBL13930928 0.86 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL3261409 0.86 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL13930916 0.86 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL13930879 0.84 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL4552532 0.80 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL13171433 0.79 RAB9A (0.72) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL7088210 0.77 MAOA (0.50) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL18292342 0.76 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL8016715 0.76 RAB9A (0.53) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL3263301 0.75 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPK1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035793-B2 Method for producing 1,2,4-oxadiazole derivative ASAHI GLASS COMPANY, LIMITED (JP) 2018-07-31 US disclosed
US-10035793-B2 Method for producing 1,2,4-oxadiazole derivative ASAHI GLASS COMPANY, LIMITED (JP) 2018-07-31 US disclosed
US-20180037578-A1 METHOD FOR PRODUCING 1,2,4-OXADIAZOLE DERIVATIVE ASAHI GLASS COMPANY, LIMITED (JP) 2018-02-08 US disclosed
US-20180037578-A1 METHOD FOR PRODUCING 1,2,4-OXADIAZOLE DERIVATIVE ASAHI GLASS COMPANY, LIMITED (JP) 2018-02-08 US 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 (2 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-10035793-B2 Method for producing 1,2,4-oxadiazole derivative CBR3, CBR1, HSD3B1 NPC1 1591/4885RAB9A 3787/4885SMN1; SMN2 4774/4885
US-20180037578-A1 METHOD FOR PRODUCING 1,2,4-OXADIAZOLE DERIVATIVE CBR3, CBR1, HSD3B1 NPC1 1591/4885RAB9A 3787/4885SMN1; SMN2 4774/4885

“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.