SCHEMBL16367391

SCHEMBL16367391

CCC(O)Cn1cccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
CHRM1 P11229 1/20 0.37
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
ELANE P08246 1/20 0.34
SLC18A3 Q16572 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 4/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL16367371 0.88 KMT2A (0.35) KMT2ACHRM1MAPK1ATMELANE
SCHEMBL15607895 0.88 KMT2A (0.35) KMT2ACHRM1MAPK1ATMELANE
SCHEMBL16367379 0.86 MAPK1 (0.35) KMT2ACHRM1MAPK1ATMELANE
SCHEMBL15607841 0.86 KMT2A (0.36) KMT2ACHRM1MAPK1ATML3MBTL1
SCHEMBL16367369 0.81 MAPK1 (0.33) KMT2ACHRM1MAPK1ATMELANE
SCHEMBL15607887 0.81 MAPK1 (0.33) KMT2ACHRM1MAPK1ATMELANE
SCHEMBL15607856 0.81 MAPK1 (0.34) KMT2ACHRM1MAPK1ATMELANE
SCHEMBL15607836 0.79 L3MBTL1 (0.36) KMT2ACHRM1MAPK1ATML3MBTL1
SCHEMBL16367368 0.77 SLC18A3 (0.43) KMT2AMAPK1ELANESLC18A3KDM4E
SCHEMBL15607843 0.77 L3MBTL1 (0.36) KMT2ACHRM1L3MBTL1ALDH1A1GAA

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 2366/4885CHRM1 3336/4885MAPK1 3155/4885

“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.