SCHEMBL20501753

SCHEMBL20501753

O=C(O)c1nc(-c2cccc([N+](=O)[O-])c2)ns1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CSNK2A1 P68400 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PSMB8 P28062 1/20 0.48
CYP1A2 P05177 1/20 0.47
GRK6 P43250 1/20 0.46
POLB P06746 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LMNA P02545 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45

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
SCHEMBL27634362 0.83 TDP1 (0.50) ALDH1A1TDP1RAB9APOLBCES2
SCHEMBL20501819 0.82 MAPT (0.55) MAPTALDH1A1SMN1; SMN2RAB9APDE4A
SCHEMBL7020022 0.79 PSMB8 (0.55) MAPTALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL7024741 0.79 PSMB8 (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11332159 0.79 MGAM (0.56) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17960860 0.77 ADORA3 (0.54) TP53MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8947243 0.77 PIN1 (0.49) SMN1; SMN2CSNK2A1GRK6
SCHEMBL18409235 0.75 NPC1 (0.68) MAPTALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL11257662 0.74 PRSS1 (0.46) MAPTALDH1A1SMN1; SMN2CSNK2A1RAB9A
SCHEMBL7275462 0.73 TP53 (0.80) TP53MAPTALDH1A1SMN1; SMN2TDP1

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 2 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
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 TP53 3878/4885MAPT 4394/4885ALDH1A1 2205/4885

“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.