SCHEMBL4833752

SCHEMBL4833752

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.51
KDM4E B2RXH2 6/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
TP53 P04637 1/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
PLK1 P53350 2/20 0.47
IGF2BP2 Q9Y6M1 1/20 0.47
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
ELANE P08246 1/20 0.46
PRTN3 P24158 1/20 0.46
GLA P06280 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL4825858 0.87 KDM4E (0.52) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL4833599 0.86 KDM4E (0.50) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL4825849 0.85 KDM4E (0.51) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL4836085 0.85 NPC1 (0.47) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4825326 0.83 LTB4R (0.48) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL4825333 0.83 LTB4R (0.48) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL2268362 0.81 NR1H4 (0.54) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL2274003 0.81 HDAC2 (0.66) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL12117935 0.81 HPGD (0.44) MCHR1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL2269617 0.80 KDM4E (0.54) KDM4EMAPTSMN1; SMN2MEN1LMNA

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 MCHR1 2217/4885KDM4E 509/4885MAPT 4769/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 MCHR1 817/4885KDM4E 598/4885MAPT 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.