SCHEMBL4024705

SCHEMBL4024705

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
MPO P05164 3/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SLC6A5 Q9Y345 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
HASPIN Q8TF76 1/20 0.46
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
AKR1C3 P42330 1/20 0.45

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
SCHEMBL4024250 0.87 ALDH1A1 (0.51) KDM4EALDH1A1KMT2AHASPIN
SCHEMBL4025027 0.83 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1MPO
SCHEMBL7513366 0.81 CA1 (0.52) KDM4EALDH1A1MPOCA1CA2
Trifluoroacetic Acid SCHEMBL6377557 0.80 CA1 (0.46) KDM4EALDH1A1KMT2AMEN1MPO
Trifluoroacetic Acid SCHEMBL6382120 0.80 CA1 (0.46) KDM4EALDH1A1KMT2AMEN1MPO
SCHEMBL6377969 0.79 KMT2A (0.59) KDM4EALDH1A1KMT2AMEN1MPO
SCHEMBL7643262 0.79 KMT2A (0.59) KDM4EALDH1A1KMT2AMEN1MPO
SCHEMBL9185931 0.77 ALDH1A1 (0.67) KDM4EALDH1A1KMT2AMEN1CA1
SCHEMBL7515852 0.76 KMT2A (0.59) KDM4EALDH1A1KMT2AMEN1CA1
SCHEMBL15637758 0.76 MEN1 (0.56) KDM4EALDH1A1KMT2AMEN1MPO

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 KDM4E 4580/4885ALDH1A1 2973/4885KMT2A 4421/4885

“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.