SCHEMBL4836085

SCHEMBL4836085

COC(=O)c1ccc(OCCCBr)cc1NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 1/20 0.46
ABL1 P00519 1/20 0.46
KCNK2 O95069 2/20 0.46
KCNK10 P57789 2/20 0.46
TRPV1 Q8NER1 3/20 0.46
PLK1 P53350 1/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
ELANE P08246 1/20 0.43
PRTN3 P24158 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4825849 0.92 KDM4E (0.51) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4833599 0.88 KDM4E (0.50) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4836158 0.86 RHOC (0.47) KDM4EALDH1A1HPGDPOLBKCNK2
SCHEMBL4833752 0.85 MCHR1 (0.51) NPC1KDM4EALDH1A1HPGDPOLB
SCHEMBL4825858 0.83 KDM4E (0.52) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4825741 0.81 ABL1 (0.45) RAB9AKDM4EHPGDABL1MAPT
SCHEMBL4825591 0.81 ELANE (0.55) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4830929 0.80 TRPV1 (0.42) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4829036 0.80 CTDSP1 (0.46) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4829030 0.80 CTDSP1 (0.46) NPC1RAB9AKDM4EALDH1A1HPGD

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 NPC1 3846/4885RAB9A 4437/4885KDM4E 509/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 NPC1 3907/4885RAB9A 4358/4885KDM4E 598/4885

“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.