SCHEMBL6131265

SCHEMBL6131265

O=C(Nc1ccccc1)c1ccc(CNc2ccc(OCCN3CCOCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.64
FLT3 P36888 4/20 0.64
AURKA O14965 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
EPHX2 P34913 2/20 0.61
LTA4H P09960 2/20 0.61
AURKB Q96GD4 4/20 0.60
HIF1A Q16665 1/20 0.60
EPAS1 Q99814 1/20 0.60
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
HDAC1 Q13547 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FLT1 P17948 1/20 0.56

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
SCHEMBL31174709 0.83 EPHX2 (0.79) KDRL3MBTL1EPHX2CACNA1BALDH1A1
SCHEMBL12077207 0.79 FLT3 (0.76) KDRFLT3AURKAEPHX2AURKB
SCHEMBL4974321 0.78 EPHX2 (0.70) KDREPHX2LTA4HKMT2AALDH1A1
SCHEMBL10132797 0.78 EPHX2 (0.67) KDRFLT3AURKAEPHX2LTA4H
SCHEMBL29944812 0.77 EPHX2 (0.58) KDRFLT3AURKAEPHX2AURKB
SCHEMBL6131263 0.77 FFAR1 (0.54) KDRAURKAEPHX2LTA4HAURKB
SCHEMBL4256144 0.77 EPHX2 (1.00) EPHX2
SCHEMBL4014247 0.76 EPHX2 (0.79) EPHX2LTA4HALDH1A1
SCHEMBL21657710 0.76 HIF1A (1.00) L3MBTL1HIF1AEPAS1CACNA1BAPBA1
SCHEMBL3366608 0.76 LTA4H (0.78) LTA4HALDH1A1SMN1; SMN2

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-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 KDR 4081/4885FLT3 2102/4885AURKA 496/4885

“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.