SCHEMBL239798

SCHEMBL239798

Oc1ccccc1CNc1cccnc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
MAPT P10636 5/20 0.58
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
NSD2 O96028 1/20 0.58
BLM P54132 1/20 0.58
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
HPGD P15428 1/20 0.51
CASP6 P55212 1/20 0.49
HTT P42858 2/20 0.48
MAPK8 P45983 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL13161226 0.79 KDM4C (0.43) MAPTALDH1A1KMT2AL3MBTL1MAPK8
SCHEMBL14821593 0.79 CA12 (0.64) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL241190 0.76 KDM4C (0.50) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL2878935 0.76 TDP1 (0.54) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL13161431 0.75 KMT2A (0.46) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL8474603 0.75 TDP1 (0.54) KDM4EMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL244041 0.74 KDM1A (0.47) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL10782516 0.72 CA12 (0.88) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL2885680 0.71 KMT2A (0.73) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL6410863 0.70 CA12 (0.84) KDM4EMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408451-A2 RADIOLABELLED PYRIDINYL DERIVATIVES FOR IN-VIVO IMAGING GE Healthcare UK Limited (GB) 2012-01-25 EP disclosed
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
WO-2010106166-A2 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2010-09-23 WO disclosed
WO-2010106166-A2 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2010-09-23 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-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GABBR1, GABRA4, CNR1 KDM4E 1433/4885MAPT 2805/4885ALDH1A1 2105/4885

“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.