SCHEMBL15534800

SCHEMBL15534800

COc1cc(C#N)c(NC2CCCCC2)c(C#N)c1OC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FER P16591 1/20 0.33
CYP3A4 P08684 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
SCHEMBL29389294 1.00 NSD2 (0.37) NSD2POLBMAPTGAASMN1; SMN2
SCHEMBL15557568 0.94 NSD2 (0.34) NSD2POLBMAPTGAASMN1; SMN2
SCHEMBL16969041 0.92 POLB (0.40) NSD2POLBMAPTGAASMN1; SMN2
SCHEMBL16969043 0.86 POLB (0.39) NSD2POLBMAPTGAASMN1; SMN2
SCHEMBL15535401 0.85 TDP1 (0.41) POLBALDH1A1TDP1HPGDKDM4E
SCHEMBL29391953 0.85 TDP1 (0.41) POLBALDH1A1TDP1HPGDKDM4E
SCHEMBL29391481 0.82 MELK (0.35) POLBMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL15535519 0.82 MELK (0.35) POLBMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL15535829 0.78 ALDH1A1 (0.39) GAAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL15535615 0.78 ALDH1A1 (0.33) POLBMAPTALDH1A1PDE1BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NSD2 969/4885POLB 828/4885MAPT 2140/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT NSD2 969/4885POLB 828/4885MAPT 2140/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT NSD2 969/4885POLB 828/4885MAPT 2140/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT NSD2 969/4885POLB 828/4885MAPT 2140/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT NSD2 969/4885POLB 828/4885MAPT 2140/4885

“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.