SCHEMBL16367379

SCHEMBL16367379

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
CHRM1 P11229 1/20 0.33
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 3/20 0.31
ELANE P08246 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL15607856 0.88 MAPK1 (0.34) MAPK1ATMCHRM1KMT2AKDM4E
SCHEMBL16367391 0.86 KMT2A (0.38) MAPK1ATMCHRM1KMT2AKDM4E
SCHEMBL15607887 0.86 MAPK1 (0.33) MAPK1ATMCHRM1KMT2AALDH1A1
SCHEMBL16367369 0.86 MAPK1 (0.33) MAPK1ATMCHRM1KMT2AALDH1A1
SCHEMBL15607837 0.80 TK1 (0.32) MAPK1ATMKMT2A
SCHEMBL15607841 0.78 KMT2A (0.36) MAPK1ATMCHRM1KMT2AALDH1A1
SCHEMBL15607895 0.77 KMT2A (0.35) MAPK1ATMCHRM1KMT2AALDH1A1
SCHEMBL16367371 0.77 KMT2A (0.35) MAPK1ATMCHRM1KMT2AALDH1A1
SCHEMBL16367368 0.76 SLC18A3 (0.43) MAPK1KMT2AKDM4EALDH1A1ELANE
SCHEMBL16367412 0.75 ALDH1A1 (0.34) ALDH1A1ELANE

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 MAPK1 3155/4885ATM 4802/4885CHRM1 3336/4885

“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.