SCHEMBL9684997

SCHEMBL9684997

CCCCCc1ccc([N+](=O)[O-])o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
MAPT P10636 7/20 0.48
STING1 Q86WV6 1/20 0.48
TP53 P04637 1/20 0.47
EPHX2 P34913 1/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
XBP1 P17861 1/20 0.42
RAB9A P51151 1/20 0.42
GLO1 Q04760 1/20 0.41
POLB P06746 3/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL18476728 0.98 LMNA (0.51) LMNAMAPTSTING1TP53EPHX2
SCHEMBL18476730 0.98 LMNA (0.51) LMNAMAPTSTING1TP53EPHX2
SCHEMBL22504349 0.98 LMNA (0.51) LMNAMAPTSTING1TP53EPHX2
SCHEMBL23394749 0.98 LMNA (0.51) LMNAMAPTSTING1TP53EPHX2
SCHEMBL27971705 0.95 LMNA (0.54) LMNAMAPTSTING1TP53MEN1
SCHEMBL14206944 0.87 LMNA (0.58) LMNAMAPTSTING1TP53MEN1
SCHEMBL2097554 0.83 LMNA (0.53) LMNAMAPTSTING1MEN1ALDH1A1
SCHEMBL2096337 0.81 LMNA (0.51) LMNAMAPTSTING1TP53MEN1
SCHEMBL2096072 0.81 LMNA (0.54) LMNAMAPTSTING1MEN1ALDH1A1
SCHEMBL2056126 0.80 LMNA (0.61) LMNAMAPTSTING1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395510-A1 Nucleotide Analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS, OFFICE OF THE GENERAL COUNSEL (024) 2022-12-15 US disclosed
US-11344555-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-31 US disclosed
US-11014950-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-25 US disclosed
US-20200316076-A1 Nucleotide Analogs THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2020-10-08 US disclosed
US-10377782-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-08-13 US disclosed
US-20180015095-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-01-18 US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
US-5145975-A Parasiticides THE ROCKEFELLER UNIVERSITY (US) 1992-09-08 US disclosed
US-4942170-A PARASITICIDES, ANTIPROTOZOA AGENTS THE ROCKEFELLER UNIVERSITY (US) 1990-07-17 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 (6 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-10377782-B2 Nucleotide analogs NUDT1, DUT, DPYD LMNA 1406/4885MAPT 4876/4885STING1 121/4885
US-20200316076-A1 Nucleotide Analogs NUDT1, DUT, DPYD LMNA 1406/4885MAPT 4876/4885STING1 121/4885
US-20180015095-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD LMNA 1406/4885MAPT 4876/4885STING1 121/4885
US-11014950-B2 Nucleotide analogs NUDT1, DUT, DPYD LMNA 1406/4885MAPT 4876/4885STING1 121/4885
US-20220395510-A1 Nucleotide Analogs NUDT1, DUT, DPYD LMNA 1406/4885MAPT 4876/4885STING1 121/4885
US-11344555-B2 Nucleotide analogs NUDT1, DUT, DPYD LMNA 1406/4885MAPT 4876/4885STING1 121/4885

“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.