SCHEMBL10065543

SCHEMBL10065543

NCCOc1cccc(NCc2ccc(CNc3ccccc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.62
CACNA1B Q00975 6/20 0.55
TAAR1 Q96RJ0 1/20 0.51
LTA4H P09960 2/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ROCK2 O75116 1/20 0.47
PRKACA P17612 1/20 0.47
PRKCD Q05655 1/20 0.47
ROCK1 Q13464 1/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL10065542 0.87 F2 (0.52) F2CACNA1BMEN1ALDH1A1MAPT
SCHEMBL10065544 0.86 CXCR4 (0.56) F2CACNA1BKDM4EGAARAB9A
SCHEMBL10994169 0.82 RAB9A (0.58) F2CACNA1BKDM4EMEN1ALDH1A1
SCHEMBL5310163 0.78 MEN1 (0.68) F2KDM4EMEN1ALDH1A1GAA
SCHEMBL25825577 0.75 F2 (0.54) F2GAARAB9AROCK2
SCHEMBL1680443 0.75 CYP1A2 (0.58) TAAR1LTA4HMEN1KMT2A
SCHEMBL19743630 0.74 APP (0.54) TAAR1LTA4HKDM4ETHRBROCK2
SCHEMBL1757487 0.73 HIF1A (0.63) F2KDM4EMEN1ALDH1A1GAA
SCHEMBL9107098 0.73 TAAR1 (0.70) TAAR1LTA4HKDM4EROCK2PRKACA
SCHEMBL2065031 0.73 CYP1A2 (0.69) LTA4HMEN1ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396040-B1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET SA (FR) 2017-04-05 EP disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
WO-2010092114-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2010-08-19 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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 F2 1990/4885CACNA1B 1409/4885TAAR1 1886/4885

“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.