SCHEMBL13488642

SCHEMBL13488642

CC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 7/20 0.63
MAPT P10636 4/20 0.63
LMNA P02545 2/20 0.63
POLB P06746 4/20 0.60
CTDSP1 Q9GZU7 2/20 0.60
DDX3X O00571 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.59

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
SCHEMBL7004973 0.86 MEN1 (0.71) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11142985 0.83 MAPT (0.67) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL8752436 0.83 SMN1; SMN2 (0.72) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5141415 0.82 MEN1 (0.75) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4186398 0.82 HTT (0.62) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5213509 0.81 CYP1A2 (0.78) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30957465 0.81 CYP1A2 (0.78) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6159248 0.81 MEN1 (0.80) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL27753743 0.81 SMN1; SMN2 (0.60) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3217135 0.81 MEN1 (0.64) HTTSMN1; SMN2MEN1KMT2AALDH1A1

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-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 HTT 2974/4885SMN1; SMN2 2774/4885MEN1 3222/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 HTT 3087/4885SMN1; SMN2 3196/4885MEN1 3023/4885

“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.