SCHEMBL15535240

SCHEMBL15535240

N#Cc1cc(O)c(O)c(C#N)c1N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 6/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 2/20 0.36
RECQL P46063 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
AR P10275 2/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
ALOX15 P16050 2/20 0.33
KCNMA1 Q12791 1/20 0.33

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
SCHEMBL15535427 0.98 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDRECQL
SCHEMBL15535056 0.86 MAPK1 (0.44) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL15546872 0.80 HPGD (0.41) ALDH1A1KDM4EHSD17B10HPGDRECQL
SCHEMBL15547252 0.79 GAA (0.41) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL15534821 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL15535805 0.75 TSHR (0.43) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL15535409 0.72 ESR1 (0.41) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL17540363 0.70 AR (0.41) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL15534707 0.68 MEN1 (0.42) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL15535061 0.67 MAPKAPK2 (0.40) ALDH1A1KDM4EHSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP claimed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US claimed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US claimed
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP claimed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 WO claimed
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 US disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 US disclosed
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-06-15 US disclosed
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP disclosed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US disclosed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US disclosed
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP disclosed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 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 (5 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-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ALDH1A1 42/4885KDM4E 576/4885HSD17B10 356/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ALDH1A1 42/4885KDM4E 576/4885HSD17B10 356/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ALDH1A1 42/4885KDM4E 576/4885HSD17B10 356/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ALDH1A1 42/4885KDM4E 576/4885HSD17B10 356/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ALDH1A1 42/4885KDM4E 576/4885HSD17B10 356/4885

“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.