SCHEMBL3219663

SCHEMBL3219663

CN(C(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 7/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.48
TSHR P16473 5/20 0.47
LMNA P02545 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
BAZ1A Q9NRL2 1/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.45
NPC1 O15118 2/20 0.45
ACHE P22303 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 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
SCHEMBL14267707 0.87 SIGMAR1 (0.48) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12550512 0.84 ALDH1A1 (0.54) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15155882 0.83 ATM (0.55) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2017690 0.83 ALDH1A1 (0.56) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4959484 0.83 ATM (0.55) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3913255 0.81 ALDH1A1 (0.49) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29868333 0.81 ALDH1A1 (0.49) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13698360 0.80 ATM (0.73) SIGMAR1ALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5827832 0.80 ALDH1A1 (0.50) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3219108 0.79 MAPK1 (0.49) SIGMAR1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 SIGMAR1 3611/4885ALDH1A1 1600/4885MAPT 705/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 SIGMAR1 3314/4885ALDH1A1 997/4885MAPT 753/4885

“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.