SCHEMBL3087524

SCHEMBL3087524

CC(C)c1cc([N+](=O)[O-])cc[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ACHE P22303 2/20 0.39
PTPRC P08575 1/20 0.39
CYP3A4 P08684 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MITF O75030 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL351824 0.79 TSHR (0.48) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL30945319 0.79 TSHR (0.48) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL2227750 0.75 TSHR (0.48) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL345760 0.72 HSD17B10 (0.48) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL10688254 0.72 ALDH1A1 (0.46) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL5313485 0.72 ALDH1A1 (0.47) TSHRLMNAALDH1A1TDP1PTPRC
SCHEMBL1424323 0.72 TSHR (0.45) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL18000477 0.72 TSHR (0.47) TSHRLMNAALDH1A1TDP1MEN1
SCHEMBL12275570 0.72 TSHR (0.45) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL31536932 0.72 HSD17B10 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 US 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

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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 TSHR 244/4885LMNA 4804/4885ALDH1A1 852/4885

“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.