SCHEMBL2044359

SCHEMBL2044359

C1=C(C(Cc2ccccc2)Nc2ccccc2Oc2ccccc2)OCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 2/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 2/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
TACR2 P21452 1/20 0.36
ADRA2C P18825 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ATM Q13315 2/20 0.35
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CACNA1B Q00975 1/20 0.32

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
SCHEMBL4180870 0.72 KDR (0.43)
SCHEMBL15418724 0.70 KDM4E (0.38) KMT2AGAAPOLBMEN1L3MBTL1
SCHEMBL7150760 0.69 MEN1 (0.48) KMT2ASMN1; SMN2TSHRMEN1PKM
SCHEMBL7163542 0.68 CYP1A2 (0.34) KMT2ASMN1; SMN2GAAPOLBMEN1
SCHEMBL4358646 0.68 CYP1A2 (0.30) POLB
SCHEMBL506238 0.67 LMNA (0.37) PKMLMNA
SCHEMBL2040214 0.67 TSPO (0.36) KMT2ASMN1; SMN2RECQLGAAPPARG
SCHEMBL2040381 0.67 TSPO (0.43) KMT2ASMN1; SMN2RECQL
SCHEMBL4869728 0.66 EPHX1 (0.44) KMT2ASMN1; SMN2GAAMEN1L3MBTL1
SCHEMBL2075972 0.66 EPHX1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512525-B1 NOVEL ARYLOXYANILIDE IMAGING AGENTS GE HEALTHCARE LTD (GB) 2017-06-14 EP disclosed
US-9186424-B2 Aryloxyanilide imaging agents GE HEALTHCARE LIMITED (GB) 2015-11-17 US disclosed
US-20140288317-A1 ARYLOXYANILIDE IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2014-09-25 US disclosed
US-8771641-B2 Aryloxyanilide imaging agents GE HEALTHCARE LIMITED (GB) 2014-07-08 US disclosed
EP-2512525-A1 ARYLOXYANILIDE IMAGING AGENTS GE Healthcare UK Limited (GB) 2012-10-24 EP disclosed
US-20120244073-A1 ARYLOXYANILIDE IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2012-09-27 US disclosed
WO-2011073304-A1 ARYLOXYANILIDE IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-06-23 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 (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-20120244073-A1 ARYLOXYANILIDE IMAGING AGENTS CNR1, GABRA4, GABBR1 KMT2A 1878/4885SMN1; SMN2 3351/4885RECQL 3857/4885
US-20140288317-A1 ARYLOXYANILIDE IMAGING AGENTS GABRA4, GABBR1, CNR1 KMT2A 1756/4885SMN1; SMN2 3769/4885RECQL 3989/4885

“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.