SCHEMBL4825326

SCHEMBL4825326

COC(=O)c1ccc(OCCCBr)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.48
TRPM2 O94759 3/20 0.48
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
TRPA1 O75762 1/20 0.47
HDAC8 Q9BY41 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.44
SLC2A1 P11166 1/20 0.43

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
SCHEMBL4825333 1.00 LTB4R (0.48) LTB4RTRPM2MAPTRAB9AKMT2A
SCHEMBL4833752 0.83 MCHR1 (0.51) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL4828878 0.82 TRPV1 (0.46) LTB4RTRPM2MAPTRAB9AKMT2A
SCHEMBL4828886 0.82 TRPV1 (0.46) LTB4RTRPM2MAPTRAB9AKMT2A
SCHEMBL4828867 0.82 TRPV1 (0.46) LTB4RTRPM2MAPTRAB9AKMT2A
SCHEMBL4833530 0.80 LTB4R (0.60) LTB4RTRPM2MAPTRAB9AKMT2A
SCHEMBL4833514 0.80 LTB4R (0.60) LTB4RTRPM2MAPTRAB9AKMT2A
SCHEMBL4833501 0.75 TRPM2 (0.48) LTB4RTRPM2MAPTRAB9AKMT2A
SCHEMBL4833179 0.75 TRPM2 (0.48) LTB4RTRPM2MAPTRAB9AKMT2A
SCHEMBL4833183 0.75 TRPM2 (0.48) LTB4RTRPM2MAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
EP-1663189-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY)-PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-07 EP disclosed
WO-2005030193-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY) -PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 LTB4R 732/4885TRPM2 4568/4885MAPT 4769/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 LTB4R 1339/4885TRPM2 4793/4885MAPT 4362/4885

“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.