SCHEMBL15535340

SCHEMBL15535340

N#Cc1cc(O)c(O)c(C#N)c1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
SNCA P37840 1/20 0.40
IDH1 O75874 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
KDM5B Q9UGL1 2/20 0.38
ALOX5 P09917 1/20 0.37
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL15535762 0.91 MAOA (0.41) SNCAIDH1FNTAFNTBKDM5B
SCHEMBL15535010 0.88 SNCA (0.43) SNCAKDM4EALDH1A1MEN1KMT2A
SCHEMBL15535245 0.86 SNCA (0.42) SNCAKDM4EALDH1A1MAPTMEN1
SCHEMBL15535373 0.85 SNCA (0.41) SNCAKDM4EALDH1A1MAPTMEN1
SCHEMBL15535622 0.85 SNCA (0.41) SNCAKDM4EALDH1A1NPSR1MAOA
SCHEMBL15535361 0.85 SNCA (0.41) SNCAALDH1A1MAPTMEN1KMT2A
SCHEMBL15535136 0.85 PDE3B (0.45) SNCAIDH1KDM4EALDH1A1MAPT
SCHEMBL15535465 0.84 AR (0.42) SNCAMEN1KMT2A
SCHEMBL15535458 0.84 RXRA (0.43) SNCAKDM4EALDH1A1MAPTGAA
SCHEMBL15535563 0.84 KDM4E (0.50) SNCAIDH1KDM4EALDH1A1MAPT

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 BCL2 4041/4885BCL2L1 3704/4885SNCA 2196/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT BCL2 4041/4885BCL2L1 3704/4885SNCA 2196/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT BCL2 4041/4885BCL2L1 3704/4885SNCA 2196/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT BCL2 4041/4885BCL2L1 3704/4885SNCA 2196/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT BCL2 4041/4885BCL2L1 3704/4885SNCA 2196/4885

“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.