SCHEMBL10032004

SCHEMBL10032004

O=C(CCCC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
KDM4E B2RXH2 1/20 0.66
HDAC3 O15379 1/20 0.63
EGFR P00533 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
FABP4 P15090 1/20 0.62
MAPT P10636 5/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SLC2A1 P11166 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60

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
SCHEMBL23540894 0.92 TSHR (0.66) TSHRKDM4EHDAC3EGFRHDAC4
SCHEMBL9775876 0.89 TSHR (0.69) TSHRKDM4EHDAC3EGFRHDAC4
SCHEMBL20219039 0.86 TSHR (0.76) TSHRKDM4EFABP4MAPTMEN1
SCHEMBL5182982 0.86 TSHR (0.66) TSHRKDM4EHDAC3EGFRHDAC4
SCHEMBL4002460 0.85 TSHR (0.73) TSHRKDM4EFABP4MAPTMEN1
SCHEMBL31023418 0.85 TSHR (0.73) TSHRKDM4EFABP4MAPTMEN1
SCHEMBL15302068 0.83 TSHR (1.00) TSHRKDM4EFABP4MAPTMEN1
SCHEMBL7933287 0.83 TSHR (0.71) TSHRKDM4EFABP4MAPTMEN1
SCHEMBL27833985 0.83 TSHR (0.71) TSHRKDM4EFABP4MAPTMEN1
SCHEMBL15107476 0.81 L3MBTL1 (0.74) KDM4EHDAC3EGFRHDAC4HDAC1

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-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS UNIVERSITY OF GUELPH (CA) 2012-06-07 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-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS TIPARP, CD38, PARP14 TSHR 4217/4885KDM4E 1883/4885HDAC3 2871/4885

“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.