SCHEMBL16367385

SCHEMBL16367385

CC(=O)OC(COS(C)(=O)=O)C(Cn1c([N+](=O)[O-])cnc1C)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
ATM Q13315 1/20 0.52
CHRM1 P11229 1/20 0.49
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CA12 O43570 4/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EGFR P00533 8/20 0.43
ERBB2 P04626 8/20 0.43
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL16367329 0.88 MAPK1 (0.53) MAPK1ATMCHRM1CA1CA2
SCHEMBL16367331 0.84 MAPK1 (0.59) MAPK1ATMCHRM1CA1CA2
SCHEMBL16367325 0.82 CHRM1 (0.65) MAPK1ATMCHRM1CA1CA2
SCHEMBL16367326 0.81 MAPK1 (0.61) MAPK1ATMCHRM1CA1CA2
SCHEMBL16367308 0.80 ALDH1A1 (0.31) MAPK1ATMALDH1A1SMN1; SMN2
SCHEMBL16367357 0.76 MAPK1 (0.60) MAPK1ATMCHRM1CA1CA2
SCHEMBL15607848 0.76 PTGS2 (0.31)
SCHEMBL16367353 0.76 EGFR (0.52) MAPK1ATMCHRM1CA1CA2
SCHEMBL16367336 0.75 L3MBTL1 (0.38) MAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL28774116 0.75 CHRM1 (0.65) MAPK1ATMCHRM1CA1CA2

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 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.