SCHEMBL3207597

SCHEMBL3207597

CN(CCc1ccccc1)CC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
MAPT P10636 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 1/20 0.66
KDM4E B2RXH2 2/20 0.60
THRB P10828 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL3211304 0.88 MEN1 (0.69) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3222093 0.86 MEN1 (0.72) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3220187 0.83 KMT2A (0.76) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3216562 0.83 MEN1 (0.68) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13489804 0.82 GAA (0.56) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL2341651 0.81 KMT2A (0.73) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3207805 0.81 HDAC3 (0.53) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL6754266 0.80 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3207648 0.77 KMT2A (0.67) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3264352 0.77 KMT2A (0.67) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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 ALDH1A1 1600/4885MEN1 3222/4885KMT2A 3012/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 ALDH1A1 997/4885MEN1 3023/4885KMT2A 2543/4885

“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.