SCHEMBL244041

SCHEMBL244041

COc1ncccc1CNc1ccccc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CACNA1B Q00975 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
PTBP1 P26599 1/20 0.46
HTT P42858 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ABCB1 P08183 1/20 0.43
MAPK8 P45983 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL7566154 0.82 L3MBTL1 (0.63) MAOAMAPTALDH1A1GAACACNA1B
SCHEMBL241190 0.82 KDM4C (0.50) MAOAMAPTALDH1A1GAACACNA1B
SCHEMBL14542280 0.77 ABCB1 (0.62) MAPTALDH1A1GAACACNA1BMEN1
SCHEMBL28223231 0.74 ALDH1A1 (0.54) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL13161226 0.74 KDM4C (0.43) MAOAMAPTALDH1A1GAAKMT2A
SCHEMBL11215406 0.74 CACNA1B (0.63) GAACACNA1BHPGDL3MBTL1KDM4E
SCHEMBL239798 0.74 KDM4E (0.58) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7569661 0.74 APLNR (0.55) MAPTALDH1A1CACNA1BMEN1KMT2A
SCHEMBL7568812 0.74 MAPK8 (0.60) MAPTALDH1A1GAACACNA1BHPGD
SCHEMBL14542282 0.74 ALDH1A1 (0.57) KDM1AMAOAMAPTALDH1A1CACNA1B

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
CN-102355899-B For the radiolabeled pyridinyl derivatives of in-vivo imaging GE HEALTHCARE LTD. (GB) 2015-10-07 CN disclosed
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 KDM1A 3221/4885MAOA 347/4885MAOB 168/4885

“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.