SCHEMBL16367387

SCHEMBL16367387

Cc1ncc([N+](=O)[O-])n1Cc1cn(C(CO)C[18F])nn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.50
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.45
CHRM1 P11229 1/20 0.44
GLA P06280 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CA12 O43570 2/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
TYMS P04818 1/20 0.37

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
SCHEMBL15544940 1.00 GUSB (0.50) GUSBMAPK1ALDH1A1LMNATHRB
SCHEMBL16367303 0.90 MAPK1 (0.49) GUSBMAPK1ALDH1A1LMNATHRB
SCHEMBL15607813 0.85 GUSB (0.44) GUSBMAPK1ALDH1A1LMNATHRB
SCHEMBL15544617 0.84 GUSB (0.44) GUSBMAPK1ALDH1A1LMNATHRB
SCHEMBL16367342 0.81 GUSB (0.31) GUSB
SCHEMBL15544607 0.81 GUSB (0.31) GUSB
SCHEMBL15545223 0.80 EGFR (0.44) GUSBMAPK1ALDH1A1LMNATHRB
SCHEMBL16367354 0.79 GUSB (0.44) GUSBMAPK1ALDH1A1LMNATHRB
SCHEMBL15545842 0.78 GUSB (0.45) GUSBMAPK1ALDH1A1LMNATHRB
SCHEMBL16367411 0.78 CYP19A1 (0.33) GUSB

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 GUSB 86/4885MAPK1 3155/4885ALDH1A1 140/4885

“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.