SCHEMBL16367299

SCHEMBL16367299

CCC(CF)n1cc(Cn2cnc([N+](=O)[O-])c2)nn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.32
CYP19A1 P11511 2/20 0.32
HIF1A Q16665 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
SCHEMBL16367294 1.00 ALDH1A1 (0.39) ALDH1A1PKML3MBTL1TAAR1CYP19A1
SCHEMBL16367295 0.93 ALDH1A1 (0.42) ALDH1A1PKML3MBTL1TAAR1CYP19A1
SCHEMBL15545173 0.89 L3MBTL1 (0.37) ALDH1A1PKML3MBTL1TAAR1CYP19A1
SCHEMBL16367362 0.89 L3MBTL1 (0.37) ALDH1A1PKML3MBTL1TAAR1CYP19A1
SCHEMBL16367312 0.89 ALDH1A1 (0.39) ALDH1A1PKML3MBTL1TAAR1CYP19A1
SCHEMBL15607806 0.83 L3MBTL1 (0.40) ALDH1A1PKML3MBTL1TAAR1CYP19A1
SCHEMBL16367376 0.83 ALDH1A1 (0.38) ALDH1A1PKML3MBTL1TAAR1CYP19A1
SCHEMBL15607817 0.78 L3MBTL1 (0.36) ALDH1A1PKML3MBTL1TAAR1CYP19A1
SCHEMBL15544866 0.77 L3MBTL1 (0.39) ALDH1A1PKML3MBTL1TAAR1CYP19A1
SCHEMBL16367422 0.77 ALDH1A1 (0.38) ALDH1A1PKML3MBTL1TAAR1CYP19A1

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 ALDH1A1 140/4885PKM 867/4885L3MBTL1 2029/4885

“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.