SCHEMBL3218538

SCHEMBL3218538

O=C(O)CCn1c(=O)ccc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.44
ALDH1A1 P00352 2/20 0.43
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
KMO O15229 3/20 0.41
MAPT P10636 1/20 0.41
CCR2 P41597 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G10 O15496 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL17580370 0.87 KDM4E (0.43) KDM4ECCR2HDAC1HDAC6SMN1; SMN2
SCHEMBL17580899 0.84 PTGDR2 (0.45) KDM4ECCR2
SCHEMBL30448661 0.83 HDAC1 (0.43) KDM4EHSD17B10ALDH1A1CCR2HDAC1
SCHEMBL3410183 0.82 KMO (0.56) KDM4EHSD17B10L3MBTL1POLBAPEX1
SCHEMBL17627894 0.81 TP53 (0.39) KDM4EALDH1A1MAPTCCR2HDAC1
SCHEMBL3214955 0.81 KAT2B (0.43) KDM4EHSD17B10ALDH1A1MAPTMEN1
SCHEMBL17580830 0.80 PLK1 (0.43) KDM4EMAPTCCR2HDAC1HDAC6
SCHEMBL28779597 0.80 HDAC1 (0.43) KDM4EALDH1A1MAPTHDAC1HDAC6
SCHEMBL3226989 0.80 ALDH1A1 (0.59) KDM4EL3MBTL1APEX1ALDH1A1FABP3
SCHEMBL3222281 0.79 KDM4E (0.47) KDM4EHSD17B10L3MBTL1POLBAPEX1

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
US-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-03-31 US disclosed
EP-2994466-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-03-16 EP disclosed
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 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 (2 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 KDM4E 3723/4885HSD17B10 3187/4885L3MBTL1 1539/4885
US-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES MRPL21, MAPRE1, HDAC6 KDM4E 1799/4885HSD17B10 1715/4885L3MBTL1 3570/4885

“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.