SCHEMBL1781484

SCHEMBL1781484

O=c1oc(-c2cccc([N+](=O)[O-])c2)ns1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 7/20 1.00
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.53
ELANE P08246 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.51
PSMB11 A5LHX3 1/20 0.51
PSMD11 O00231 1/20 0.51
PSMD12 O00232 1/20 0.51
PSMD14 O00487 1/20 0.51
PSMA7 O14818 1/20 0.51
PSMD3 O43242 1/20 0.51
PSMC3 P17980 1/20 0.51
PSMB1 P20618 1/20 0.51
PSMA1 P25786 1/20 0.51
PSMA2 P25787 1/20 0.51

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
SCHEMBL1780192 0.81 PSMB8 (0.68) PSMB8NPC1RAB9AALDH1A1MAPT
SCHEMBL1781114 0.75 PSMB8 (0.69) PSMB8NPC1RAB9AALDH1A1MAPT
SCHEMBL1780955 0.75 PSMB8 (0.69) PSMB8MAPTMEN1KMT2APSMB11
SCHEMBL4177855 0.75 PSMB8 (0.69) PSMB8NPC1RAB9AALDH1A1MAPT
SCHEMBL11396664 0.75 PSMB8 (0.69) PSMB8NPC1RAB9ASMN1; SMN2PSMB11
SCHEMBL22770156 0.75 NPC1 (0.60) PSMB8NPC1RAB9AALDH1A1MAPT
SCHEMBL10245542 0.74 NPC1 (1.00) PSMB8NPC1RAB9AALDH1A1MAPT
SCHEMBL2291156 0.73 NOTUM (0.68) PSMB8NPC1RAB9AALDH1A1MAPT
SCHEMBL1781069 0.73 PSMB8 (1.00) PSMB8NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6738366 0.73 TSHR (0.76) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118274-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2011-05-19 US claimed
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
US-20110118274-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2011-05-19 US disclosed
WO-2009026579-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2009-02-26 WO disclosed
US-4261728-A PREEMERGENT ACTIVITY MONSANTO COMPANY (US) 1981-04-14 US disclosed
US-4187099-A 3-Aryl-4-isothiazolecarboxylic acid and 3-aryl-4-isoxazolecarboxylic acid derivatives and their use as herbicides MONSANTO COMPANY (US) 1980-02-05 US disclosed
US-4144047-A SOYBEANS MONSANTO COMPANY (US) 1979-03-13 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-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 PSMB8 3308/4885NPC1 16/4885RAB9A 2088/4885
US-20110118274-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER PSMB1, PSME1, PSMB2 PSMB8 22/4885NPC1 2125/4885RAB9A 2214/4885

“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.