SCHEMBL4025027

SCHEMBL4025027

CC(C)(C)OC(=O)c1ccc(F)c(CNCCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
SLC7A5 Q01650 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HASPIN Q8TF76 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MPO P05164 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABL1 P00519 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RIN1 Q13671 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL4024746 0.90 SMN1; SMN2 (0.47) SLC7A5ALDH1A1KDM4EHASPINATM
SCHEMBL6656269 0.84 SLC7A5 (0.45) KMT2AMEN1SLC7A5ALDH1A1KDM4E
SCHEMBL4024705 0.83 KDM4E (0.52) KMT2AMEN1ALDH1A1KDM4EHASPIN
SCHEMBL6378072 0.83 ALDH1A1 (0.51) KMT2AMEN1SLC7A5ALDH1A1KDM4E
SCHEMBL337290 0.81 IDO1 (0.39) SLC7A5ALDH1A1KDM4ETDP1MAPT
SCHEMBL6945929 0.81 ALDH1A1 (0.51) KMT2AMEN1SLC7A5ALDH1A1KDM4E
SCHEMBL5972545 0.80 MAOA (0.44) KMT2AMEN1TDP1CA1CA2
SCHEMBL4022762 0.79 GABRA1 (0.39) SLC7A5CA1CA2
SCHEMBL4024612 0.79 SYK (0.40) SLC7A5ALDH1A1ATMMAPTNPSR1
SCHEMBL5972486 0.79 MAOA (0.46) KMT2AMEN1KDM4ETDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171428-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-06-17 EP disclosed
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 EP disclosed
US-6765005-B2 BACTERICIDES; ENZYME INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-20 US disclosed
US-20030139377-A1 Fab I inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-24 US disclosed
US-6503903-B1 Administering 3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide derivative SMITHKLINE BEECHAM CORPORATION 2003-01-07 US disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 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-20030139377-A1 Fab I inhibitors SERPINB1, TFPI, TFPI2 KMT2A 4421/4885MEN1 3548/4885SLC7A5 2166/4885

“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.