SCHEMBL16367302

SCHEMBL16367302

CC(=O)OC(COS(C)(=O)=O)Cn1cncc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 2/20 0.31
ATM Q13315 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL16367308 0.89 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1RAB9AMAPK1ATM
SCHEMBL16367349 0.85 EGFR (0.37) POLBMAPTKMT2ATHRBKDM4E
SCHEMBL16367310 0.84 POLB (0.37) POLBMAPTKMT2ATHRBKDM4E
SCHEMBL16367340 0.83 CHRM1 (0.36) KMT2ASMN1; SMN2ALDH1A1RAB9AMAPK1
SCHEMBL16367298 0.82 MAPK1 (0.35) THRBSMN1; SMN2ALDH1A1RAB9AMAPK1
SCHEMBL16367319 0.82 POLB (0.36) POLBMAPTKMT2ATHRBKDM4E
SCHEMBL16367329 0.80 MAPK1 (0.53) THRBKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL16367313 0.76 L3MBTL1 (0.39) POLBMAPTKMT2ATHRBSMN1; SMN2
SCHEMBL16367321 0.76 ALDH1A1 (0.37) POLBMAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL16367343 0.75 EGFR (0.36) KDM4ESMN1; SMN2ALDH1A1RAB9AMAPK1

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB POLB 1684/4885MAPT 3982/4885KMT2A 2366/4885

“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.