SCHEMBL20501792

SCHEMBL20501792

CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)noc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 4/20 0.56
MAPK1 P28482 3/20 0.56
ALDH1A1 P00352 3/20 0.56
PDE4B Q07343 2/20 0.52
PDE4D Q08499 2/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4C Q08493 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL899438 0.86 MEN1 (0.59) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL20501599 0.84 ALDH1A1 (0.53) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11517059 0.83 MEN1 (0.55) MEN1KMT2AMAPK1ALDH1A1RAB9A
SCHEMBL2923341 0.83 SMN1; SMN2 (0.62) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL12691857 0.82 KMT2A (0.53) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1776068 0.81 GPBAR1 (0.59) MAPK1ALDH1A1POLBALOX15TSHR
SCHEMBL2779302 0.81 TDP1 (0.66) MAPK1ALDH1A1POLBALOX15TSHR
SCHEMBL536297 0.80 TSHR (0.74) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL13615398 0.80 SMN1; SMN2 (0.64) MAPTMAPK1ALDH1A1POLBALOX15
SCHEMBL11400231 0.80 MAPT (0.55) MEN1KMT2AMAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
WO-2018170173-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 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-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 MEN1 2725/4885KMT2A 4719/4885MAPT 4394/4885

“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.