SCHEMBL4828909

SCHEMBL4828909

CC(C)(C)c1ccc(C=NOCCCOc2ccc(CBr)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 4/20 0.43
RECQL P46063 1/20 0.42
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
APP P05067 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4833649 0.88 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4828811 0.85 LMNA (0.50) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4833687 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4833683 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4826489 0.83 ALDH1A1 (0.49) ALDH1A1KMT2ALMNARECQLSPHK2
SCHEMBL4826482 0.83 ALDH1A1 (0.49) ALDH1A1KMT2ALMNARECQLSPHK2
SCHEMBL4833682 0.82 LMNA (0.50) ALDH1A1L3MBTL1LMNARECQLSMN1; SMN2
SCHEMBL4828774 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4828776 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4833673 0.82 LMNA (0.50) ALDH1A1L3MBTL1LMNARECQLSMN1; SMN2

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 ALDH1A1 269/4885MEN1 4290/4885KMT2A 416/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 ALDH1A1 211/4885MEN1 4006/4885KMT2A 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.