SCHEMBL16375296

SCHEMBL16375296

CS(=O)(=O)OCCNC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
ALDH1A1 P00352 7/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
GLA P06280 2/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL16375297 0.84 MAPT (0.50) KMT2AMEN1ALDH1A1L3MBTL1GLA
SCHEMBL6772054 0.82 DPP8 (0.48) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL2510372 0.78 KMT2A (0.56) KMT2AMEN1OPRM1OPRD1ALDH1A1
SCHEMBL21887012 0.76 ALDH1A1 (0.55) KMT2AMEN1OPRM1OPRD1ALDH1A1
SCHEMBL15610829 0.76 KMT2A (0.54) KMT2AMEN1OPRM1OPRD1ALDH1A1
SCHEMBL874787 0.76 TSHR (0.51)
SCHEMBL4196572 0.75 ALDH1A1 (0.53) KMT2AMEN1OPRM1OPRD1ALDH1A1
SCHEMBL10805478 0.75 MAPT (0.58) KMT2AMEN1ALDH1A1GLAMAPT
SCHEMBL7824219 0.75 ALDH1A1 (0.53) KMT2AMEN1OPRM1OPRD1ALDH1A1
SCHEMBL17811731 0.74 ALDH1A1 (0.52) KMT2AMEN1OPRM1OPRD1ALDH1A1

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 1 patent. 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

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 KMT2A 2366/4885MEN1 2288/4885OPRM1 956/4885

“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.