SCHEMBL3264352

SCHEMBL3264352

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.67
MEN1 O00255 7/20 0.67
MAPT P10636 3/20 0.67
KDM4E B2RXH2 2/20 0.63
POLB P06746 3/20 0.62
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
DDX3X O00571 1/20 0.57
HTT P42858 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
BAZ1A Q9NRL2 1/20 0.55
NPC1 O15118 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
SCHEMBL2341651 0.87 KMT2A (0.73) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL3220187 0.83 KMT2A (0.76) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL3207648 0.82 KMT2A (0.67) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL3220438 0.82 KMT2A (0.66) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL3222093 0.81 MEN1 (0.72) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL5141415 0.80 MEN1 (0.75) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL18746186 0.80 POLB (0.74) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL5213509 0.79 CYP1A2 (0.78) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL30957465 0.79 CYP1A2 (0.78) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL3211304 0.79 MEN1 (0.69) KMT2AMEN1MAPTKDM4EPOLB

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