SCHEMBL1849453

SCHEMBL1849453

COC(=O)c1cn(OC)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.69
KMT2A Q03164 11/20 0.65
MEN1 O00255 3/20 0.65
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
THRB P10828 1/20 0.60
GAA P10253 1/20 0.60
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL22955702 0.85 MAPT (0.50) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL3050804 0.83 NR4A2 (0.47) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL19691124 0.83 NR4A2 (0.47) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL31621504 0.81 NR4A2 (1.00) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL1092934 0.81 NR4A2 (1.00) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL5543207 0.80 NR4A2 (0.69) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL13936213 0.80 NR4A2 (0.69) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL27873322 0.80 NR4A2 (0.69) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL15558170 0.80 NR4A2 (0.69) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL11218801 0.79 NR4A2 (0.50) NR4A2KMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323485-B1 ANTI-ALLERGEN COMBINATIONS OF CALCIUM AND LANTHANUM SALTS JANSSEN PHARMACEUTICA NV (BE) 2013-10-16 EP disclosed
US-20110196006-A1 IMAZALIL COMPOSITIONS COMPRISING ALKOXYLATED AMINES BYLEMANS DANY LEOPOLD JOZEFIEN 2011-08-11 US disclosed
US-20110135750-A1 ANTI-ALLERGEN COMBINATIONS OF CALCIUM AND LANTHANUM BYLEMANS DANY LEOPOLD JOZEFIEN 2011-06-09 US disclosed
EP-2323485-A1 ANTI-ALLERGEN COMBINATIONS OF CALCIUM AND LANTHANUM SALTS Janssen Pharmaceutica, N.V. (BE) 2011-05-25 EP disclosed
WO-2010015697-A1 ANTI-ALLERGEN COMBINATIONS OF CALCIUM AND LANTHANUM SALTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-11 WO disclosed
US-20090093505-A1 Imazalil compositions comprising alkoxylated amines JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-09 US disclosed
US-20090028796-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2009-01-29 US disclosed
EP-1784076-A1 IMAZALIL COMPOSITIONS COMPRISING ALKOXYLATED AMINES JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-16 EP disclosed
WO-2006021556-A1 IMAZALIL COMPOSITIONS COMPRISING ALKOXYLATED AMINES JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-02 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 (3 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-20090093505-A1 Imazalil compositions comprising alkoxylated amines INMT, TYR, TH NR4A2 4684/4885KMT2A 478/4885MEN1 1588/4885
US-20110196006-A1 IMAZALIL COMPOSITIONS COMPRISING ALKOXYLATED AMINES INMT, TYR, TH NR4A2 4684/4885KMT2A 478/4885MEN1 1588/4885
US-20090028796-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES IDO1, IDO2, INMT NR4A2 4675/4885KMT2A 3257/4885MEN1 3306/4885

“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.