SCHEMBL15535154

SCHEMBL15535154

COc1cc(C#N)c(N2CCCC2)c(C#N)c1OC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CASP1 P29466 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.34
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL15534880 0.99 TP53 (0.39) HPGDHSD17B10TP53NPSR1CASP1
SCHEMBL15558277 0.91 HPGD (0.39) HPGDHSD17B10TP53NPSR1CASP1
SCHEMBL15536492 0.91 HPGD (0.41) HPGDLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL29391479 0.91 HPGD (0.41) HPGDLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL15535678 0.90 TP53 (0.41) HPGDHSD17B10TP53NPSR1CASP1
SCHEMBL16969087 0.85 SLC16A3 (0.38) HPGDHSD17B10TP53NPSR1CASP1
SCHEMBL15535850 0.85 HPGD (0.37) HPGDHSD17B10LMNASMN1; SMN2KDM4E
SCHEMBL29392437 0.85 KDM4E (0.40) HPGDHSD17B10NPSR1SMN1; SMN2KDM4E
SCHEMBL16969042 0.84 SLC16A3 (0.39) HPGDHSD17B10TP53NPSR1CASP1
SCHEMBL15534883 0.82 MEN1 (0.46) HPGDHSD17B10NPSR1LMNAKDM4E

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 HPGD 474/4885HSD17B10 356/4885TP53 2996/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HPGD 474/4885HSD17B10 356/4885TP53 2996/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HPGD 474/4885HSD17B10 356/4885TP53 2996/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HPGD 474/4885HSD17B10 356/4885TP53 2996/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HPGD 474/4885HSD17B10 356/4885TP53 2996/4885

“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.