SCHEMBL15535401

SCHEMBL15535401

COc1cc(C#N)c(NCC2CCCCC2)c(C#N)c1OC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33
AR P10275 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PDE4B Q07343 2/20 0.32
PDE4D Q08499 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
ACHE P22303 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
SCHEMBL29391953 1.00 TDP1 (0.41) TDP1KMT2AALDH1A1MEN1HPGD
SCHEMBL15548155 0.92 TDP1 (0.46) TDP1KMT2AALDH1A1MEN1HPGD
SCHEMBL15548157 0.87 TDP1 (0.45) TDP1KMT2AALDH1A1MEN1HPGD
SCHEMBL15534800 0.85 NSD2 (0.37) TDP1ALDH1A1HPGDPOLBKDM4E
SCHEMBL29389294 0.85 NSD2 (0.37) TDP1ALDH1A1HPGDPOLBKDM4E
SCHEMBL15535829 0.81 ALDH1A1 (0.39) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL29391508 0.81 ALDH1A1 (0.39) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL15557568 0.80 NSD2 (0.34) TDP1ALDH1A1HPGDPOLBKDM4E
SCHEMBL15535519 0.80 MELK (0.35) TDP1KMT2AALDH1A1MEN1HPGD
SCHEMBL29391481 0.80 MELK (0.35) TDP1KMT2AALDH1A1MEN1HPGD

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 TDP1 610/4885KMT2A 223/4885ALDH1A1 42/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT TDP1 610/4885KMT2A 223/4885ALDH1A1 42/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT TDP1 610/4885KMT2A 223/4885ALDH1A1 42/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT TDP1 610/4885KMT2A 223/4885ALDH1A1 42/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT TDP1 610/4885KMT2A 223/4885ALDH1A1 42/4885

“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.