SCHEMBL3716664

SCHEMBL3716664

CC(C)c1cc([N+](=O)[O-])ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
ACHE P22303 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP3A4 P08684 3/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
NAMPT P43490 1/20 0.39
XDH P47989 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
CHRNA7 P36544 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL30001467 0.83 KMT2A (0.39) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL30001445 0.83 KMT2A (0.39) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL30000712 0.83 KMT2A (0.39) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL30001844 0.83 KMT2A (0.39) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL29186936 0.76 ALDH1A1 (0.39) TSHRLMNAALDH1A1PDE4DCYP3A4
SCHEMBL30001321 0.76 ALDH1A1 (0.39) TSHRLMNAALDH1A1PDE4DCYP3A4
SCHEMBL1852040 0.76 PDE4D (0.40) TSHRLMNAALDH1A1TDP1PDE4D
SCHEMBL19214828 0.75 CYP3A4 (0.38) TSHRLMNAALDH1A1TDP1PDE4D
SCHEMBL30001220 0.75 CYP2D6 (0.41) TSHRALDH1A1TDP1CYP3A4KMT2A
SCHEMBL2144876 0.75 TSHR (0.50) TSHRLMNAALDH1A1TDP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-7612197-B2 Reacting a nucleophil with OH group with an electrophil to form an adduct, reacting adduct with a reagent selected from oxidizing, sulfurizing or selenizing agents to produce hydroxy protected oligonucleotide, heating to deprotect hydroxy protecting group such as 2-(2-pyridyl)aminoethoxycarbonyl The United States of America as repesented by the Secretary of the Department of Health and Human Services (US) 2009-11-03 US disclosed
US-7323567-B2 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-01-29 US disclosed
US-20070225317-A1 RSV POLYMERASE INHIBITORS SIMONEAU BRUNO 2007-09-27 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 (3 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-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 TSHR 3851/4885LMNA 1973/4885ALDH1A1 2576/4885
US-20070225317-A1 RSV POLYMERASE INHIBITORS POLR2E, POLR2H, POLR2A TSHR 1778/4885LMNA 2603/4885ALDH1A1 1290/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE TSHR 2283/4885LMNA 2333/4885ALDH1A1 2185/4885

“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.