SCHEMBL4833231

SCHEMBL4833231

C/C(=N\O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.55
MAPT P10636 2/20 0.51
ALOX12 P18054 1/20 0.51
ESRRG P62508 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 1/20 0.47
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.46
SRD5A2 P31213 1/20 0.45
TSHR P16473 1/20 0.42
HTT P42858 3/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4833241 1.00 CA9 (0.55) CA9MAPTALOX12ESRRGSMN1; SMN2
Tert-Butylbenzene SCHEMBL28252414 0.85 LMNA (0.44) CA9MAPTALOX12ESRRGSMN1; SMN2
SCHEMBL28047808 0.83 LMNA (0.55) CA9MAPTALOX12ESRRGSMN1; SMN2
SCHEMBL13811585 0.83 HDAC3 (0.67) MAPTSMN1; SMN2NPSR1LMNAKDM4E
SCHEMBL12360950 0.83 CA9 (0.52) CA9MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL14298196 0.83 CA9 (0.52) CA9MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL4022029 0.80 CES2 (0.50) CA9ALDH1A1LMNASRD5A2RAB9A
SCHEMBL266456 0.80 CES2 (0.50) CA9ALDH1A1LMNASRD5A2RAB9A
SCHEMBL16437274 0.77 MAPT (0.47) MAPTALOX12ESRRGSMN1; SMN2ALDH1A1
SCHEMBL2358589 0.76 TNF (0.51) MAPTESRRGL3MBTL1HDAC1LMNA

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 CA9 1620/4885MAPT 4769/4885ALOX12 219/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 CA9 812/4885MAPT 4362/4885ALOX12 562/4885

“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.