SCHEMBL15548155

SCHEMBL15548155

COc1cc(C#N)c(NCC2CCCCC2)c(C#N)c1OC(=O)Oc1c(OC)cc(C#N)c(NCC2CCCCC2)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.37
AR P10275 1/20 0.36
LRRK2 Q5S007 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL15548157 0.93 TDP1 (0.45) TDP1KMT2AALDH1A1MEN1HPGD
SCHEMBL15535401 0.92 TDP1 (0.41) TDP1KMT2AALDH1A1MEN1HPGD
SCHEMBL29391953 0.92 TDP1 (0.41) TDP1KMT2AALDH1A1MEN1HPGD
SCHEMBL16969041 0.84 POLB (0.40) TDP1KMT2AALDH1A1MEN1HPGD
SCHEMBL15535085 0.83 AR (0.39) TDP1KMT2AMEN1HPGDAR
SCHEMBL16969048 0.79 ALDH1A1 (0.43) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL16969050 0.77 ALDH1A1 (0.39) TDP1KMT2AALDH1A1MEN1HPGD
SCHEMBL15536098 0.77 ALDH1A1 (0.39) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL29389294 0.76 NSD2 (0.37) TDP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL15534800 0.76 NSD2 (0.37) TDP1ALDH1A1HPGDKDM4EMAPT

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.