SCHEMBL1857955

SCHEMBL1857955

CN(C)C(=O)c1ccc([N+](=O)[O-])c(C(=O)N(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ERN1 O75460 2/20 0.49
HCAR3 P49019 1/20 0.46
TSHR P16473 2/20 0.46
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
CASP6 P55212 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A4 P31645 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL21544091 0.88 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL3729240 0.83 TSHR (0.55) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL29547015 0.83 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL382787 0.83 TSHR (0.68) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL5508386 0.82 ATM (0.51) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL355589 0.82 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL21544194 0.82 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL399328 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AHPGDMEN1NPSR1
SCHEMBL30477963 0.82 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL12562300 0.82 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AHPGDMEN1

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-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 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 (1 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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA ALDH1A1 2279/4885LMNA 4511/4885KMT2A 2966/4885

“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.