SCHEMBL16367372

SCHEMBL16367372

CCC(CO)n1cc(Cc2ccc([N+](=O)[O-])cc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP19A1 P11511 4/20 0.42
TGM2 P21980 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 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
SCHEMBL15543609 0.88 DRD4 (0.42) DRD4SIGMAR1CYP19A1TGM2POLB
SCHEMBL16367420 0.88 DRD4 (0.42) DRD4SIGMAR1CYP19A1TGM2POLB
SCHEMBL15607911 0.85 CYP19A1 (0.40) DRD4SIGMAR1CYP19A1TGM2POLB
SCHEMBL16367401 0.85 CYP19A1 (0.40) DRD4SIGMAR1CYP19A1TGM2POLB
SCHEMBL15544899 0.84 CYP19A1 (0.39) DRD4SIGMAR1CYP19A1TGM2POLB
SCHEMBL15545208 0.80 BCHE (0.38) DRD4SIGMAR1CYP19A1ALDH1A1CYP1A2
SCHEMBL15544471 0.77 CYP19A1 (0.40) DRD4SIGMAR1CYP19A1TGM2MAPT
SCHEMBL15543953 0.74 CYP19A1 (0.37) DRD4SIGMAR1CYP19A1TGM2ALDH1A1
SCHEMBL19419498 0.73 CYP19A1 (0.37) CYP19A1POLB
SCHEMBL16367312 0.72 ALDH1A1 (0.39) CYP19A1POLBALDH1A1MAPT

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 DRD4 3149/4885SIGMAR1 803/4885CYP19A1 442/4885

“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.