SCHEMBL4825849

SCHEMBL4825849

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
POLB P06746 1/20 0.46
KCNK2 O95069 1/20 0.46
KCNK10 P57789 1/20 0.46
MAPT P10636 3/20 0.46
PLK1 P53350 1/20 0.44
LIPE Q05469 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ELANE P08246 1/20 0.43
PRTN3 P24158 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 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
SCHEMBL4836158 0.93 RHOC (0.47) KDM4EHTTKMT2AALDH1A1HPGD
SCHEMBL4836085 0.92 NPC1 (0.47) KDM4EHTTKMT2AALDH1A1HPGD
SCHEMBL4833599 0.90 KDM4E (0.50) KDM4EKMT2AALDH1A1HPGDPOLB
SCHEMBL4833752 0.85 MCHR1 (0.51) KDM4EKMT2AALDH1A1HPGDPOLB
SCHEMBL4825741 0.83 ABL1 (0.45) KDM4EKMT2AHPGDMAPTRXFP1
SCHEMBL4825858 0.83 KDM4E (0.52) KDM4EHTTKMT2AALDH1A1HPGD
SCHEMBL4829030 0.80 CTDSP1 (0.46) KDM4EHTTKMT2AALDH1A1HPGD
SCHEMBL4829036 0.80 CTDSP1 (0.46) KDM4EHTTKMT2AALDH1A1HPGD
SCHEMBL4830859 0.79 CTDSP1 (0.44) KDM4EHTTKMT2AALDH1A1HPGD
SCHEMBL4830875 0.79 CTDSP1 (0.44) KDM4EHTTKMT2AALDH1A1HPGD

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 KDM4E 509/4885HTT 2032/4885KMT2A 416/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 KDM4E 598/4885HTT 1675/4885KMT2A 757/4885

“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.