SCHEMBL15545349

SCHEMBL15545349

CC(=O)OCC(COS(=O)(=O)c1ccc(C)cc1)n1cc(Cc2ccc([N+](=O)[O-])cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
DRD4 P21917 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PKM P14618 2/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PSMD10 O75832 1/20 0.35
HPGD P15428 2/20 0.35
CYP19A1 P11511 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL15545208 0.89 BCHE (0.38) BCHEACHEDRD4SIGMAR1PKM
SCHEMBL15543953 0.88 CYP19A1 (0.37) DRD4SIGMAR1MAPTALDH1A1CYP19A1
SCHEMBL16367401 0.83 CYP19A1 (0.40) DRD4SIGMAR1MAPTALDH1A1CYP19A1
SCHEMBL15607911 0.83 CYP19A1 (0.40) DRD4SIGMAR1MAPTALDH1A1CYP19A1
SCHEMBL15544602 0.81 PKM (0.35) PKMMAPTALDH1A1KMT2AMEN1
SCHEMBL15544616 0.81 PSMD10 (0.35) PSMD10POLB
SCHEMBL15544080 0.80 EGFR (0.44) ALDH1A1LMNATHRB
SCHEMBL15544899 0.77 CYP19A1 (0.39) DRD4SIGMAR1MAPTCYP19A1POLB
SCHEMBL15544471 0.74 CYP19A1 (0.40) DRD4SIGMAR1MAPTKMT2AMEN1
SCHEMBL16367402 0.71 ACHE (0.45) BCHEACHEPKMMAPTALDH1A1

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 5 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
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
EP-2793871-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION Auckland Uniservices Limited (NZ) 2014-10-29 EP disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 WO 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 BCHE 2576/4885ACHE 3736/4885DRD4 3149/4885

“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.