SCHEMBL16367384

SCHEMBL16367384

CCC(O)C(O)Cn1cncc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.40
CHRM1 P11229 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 4/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL15607866 0.87 MAPK1 (0.38) MAPK1ATMCHRM1SMN1; SMN2ALDH1A1
SCHEMBL16367351 0.87 MAPK1 (0.38) MAPK1ATMCHRM1SMN1; SMN2ALDH1A1
SCHEMBL16367301 0.87 CHRM1 (0.42) MAPK1ATMCHRM1SMN1; SMN2ALDH1A1
SCHEMBL16367322 0.87 MAPK1 (0.38) MAPK1ATMCHRM1SMN1; SMN2ALDH1A1
SCHEMBL3469622 0.83 MAPK1 (0.54) MAPK1ATMCHRM1SMN1; SMN2ALDH1A1
SCHEMBL16367298 0.80 MAPK1 (0.35) MAPK1ATMCHRM1SMN1; SMN2ALDH1A1
SCHEMBL27991993 0.79 CHRM1 (0.40) MAPK1ATMCHRM1SMN1; SMN2ALDH1A1
SCHEMBL16367323 0.78 CHRM1 (0.39) MAPK1ATMCHRM1SMN1; SMN2ALDH1A1
SCHEMBL16367324 0.78 CHRM1 (0.39) MAPK1ATMCHRM1SMN1; SMN2ALDH1A1
SCHEMBL27895123 0.78 CHRM1 (0.55) MAPK1ATMCHRM1SMN1; SMN2ALDH1A1

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.