SCHEMBL2595390

SCHEMBL2595390

O=[N+]([O-])c1cccc(CCNCc2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA4 P22748 2/20 0.50
▸ CNR2 P34972 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ EPHX2 P34913 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
SCHEMBL15498151 0.89 MPO (0.51) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL20495254 0.84 TSHR (0.57) GAAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6675948 0.83 MEN1 (0.66) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL15265102 0.81 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL15265939 0.81 TSHR (0.55) GAAKMT2AMEN1KDM4EALDH1A1
SCHEMBL15265345 0.81 L3MBTL1 (0.62) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL18994884 0.80 ALDH1A1 (0.53) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL6960534 0.80 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL15265052 0.79 BCHE (0.62) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL15265322 0.79 MEN1 (0.65) GAAKMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 — — US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 — — EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 — — US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 — — 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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E GAA 4327/4885KMT2A 1629/4885MEN1 390/4885

“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.

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