SCHEMBL18158922

SCHEMBL18158922

CNC(=O)c1cnc(SCl)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.42
STAMBP O95630 1/20 0.42
COPS5 Q92905 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 3/20 0.39
MAPK1 P28482 1/20 0.39
HPGDS O60760 2/20 0.39
JAK2 O60674 1/20 0.38
HCAR3 P49019 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SCN9A Q15858 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL18158928 0.79 CLPP (0.33) SMN1; SMN2MAPTPOLBMAPK1JAK2
SCHEMBL18158949 0.78 MEN1 (0.54) PSMD14STAMBPCOPS5SMN1; SMN2MAPT
SCHEMBL18158924 0.77 MAPT (0.38) SMN1; SMN2MAPTPOLBMAPK1LMNA
SCHEMBL18158939 0.77 PSMD14 (0.38) PSMD14STAMBPCOPS5SMN1; SMN2MAPT
SCHEMBL30871315 0.76 JAK2 (0.46) PSMD14STAMBPCOPS5SMN1; SMN2MAPT
SCHEMBL29859154 0.71 TSHR (0.47) SMN1; SMN2MAPTHCAR3LMNAALDH1A1
SCHEMBL18397215 0.71 TSHR (0.47) SMN1; SMN2MAPTHCAR3LMNAALDH1A1
SCHEMBL72991 0.70 MAPT (0.54) PSMD14SMN1; SMN2MAPTPOLBMAPK1
SCHEMBL29859096 0.70 MAPT (0.54) PSMD14SMN1; SMN2MAPTPOLBMAPK1
SCHEMBL31030192 0.70 MAPT (0.43) SMN1; SMN2MAPTLMNAALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2016-10-20 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 (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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR VIP, MRPL21, THEM6 PSMD14 2118/4885STAMBP 958/4885COPS5 1932/4885

“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.