SCHEMBL16375295

SCHEMBL16375295

O=C(Cn1cncc1[N+](=O)[O-])NCCF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
THRB P10828 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 1/20 0.39
GRIN2B Q13224 1/20 0.39
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 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
SCHEMBL15544823 0.82 MEN1 (0.38) LMNATHRBCYP2C19MEN1KMT2A
SCHEMBL15544312 0.81 MEN1 (0.38) LMNATHRBCYP2C19MEN1KMT2A
SCHEMBL16374995 0.79 LMNA (0.38) LMNATHRBCYP2C19MEN1KMT2A
SCHEMBL15544888 0.77 MEN1 (0.39) LMNATHRBCYP2C19MEN1KMT2A
SCHEMBL15607886 0.77 LMNA (0.44) LMNATHRBCYP2C19MEN1KMT2A
SCHEMBL28050025 0.76 ALDH1A1 (0.42) LMNATHRBMEN1KMT2APOLB
SCHEMBL15607875 0.74 EGFR (0.43) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL15607939 0.74 MEN1 (0.34) LMNATHRBCYP2C19MEN1KMT2A
SCHEMBL16374999 0.74 MEN1 (0.65) MEN1KMT2APOLBALDH1A1
SCHEMBL11882011 0.73 ALDH1A1 (0.38) LMNATHRBMEN1KMT2APOLB

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 LMNA 4469/4885THRB 1824/4885CYP2C19 340/4885

“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.