SCHEMBL4801674

SCHEMBL4801674

COC(=O)c1ccc(CON2C(=O)c3ccccc3C2=O)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL7915253 0.83 MEN1 (0.47) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL13140637 0.83 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL13140602 0.83 LMNA (0.49) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2110183 0.82 HDAC7 (0.56) KMT2AMAPTALDH1A1HTTPOLB
SCHEMBL7745438 0.79 MEN1 (0.60) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL11001273 0.77 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL4795735 0.74 GAA (0.46) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL13182869 0.74 ALDH1A1 (0.47) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL13140588 0.73 MAPT (0.49) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL23662563 0.73 CYP3A4 (0.47) KMT2AMEN1MAPTALDH1A1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342039-B2 Substituted indole oximes WYETH (US) 2008-03-11 US disclosed
EP-1667670-A1 4-(1H-INDOL-3-YL-METHYLIDENEAMINOXY-PROPOXY)-BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-14 EP disclosed
US-20050119326-A1 Substituted aryloximes WYETH (US) 2005-06-02 US disclosed
WO-2005030192-A1 4- (1H-INDOL-3-YL-METHYLIDENEAMINOXY-PROPOXY) -BENZIOC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS WYETH (US) 2005-04-07 WO 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 (1 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-20050119326-A1 Substituted aryloximes IDO2, TDO2, IDO1 KMT2A 382/4885MEN1 3902/4885MAPT 4402/4885

“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.