SCHEMBL3222093

SCHEMBL3222093

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

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
MAPT P10636 3/20 0.72
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
POLB P06746 2/20 0.56
DDX3X O00571 1/20 0.56
HTT P42858 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL3220187 0.90 KMT2A (0.76) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3216562 0.87 MEN1 (0.68) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3207597 0.86 ALDH1A1 (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2341651 0.85 KMT2A (0.73) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3220438 0.83 KMT2A (0.66) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3211304 0.83 MEN1 (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL874113 0.81 MEN1 (0.73) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5213509 0.81 CYP1A2 (0.78) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30957465 0.81 CYP1A2 (0.78) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3264352 0.81 KMT2A (0.67) MEN1KMT2AMAPTKDM4EALDH1A1

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 3 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-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 MEN1 3222/4885KMT2A 3012/4885MAPT 705/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 MEN1 3023/4885KMT2A 2543/4885MAPT 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.