SCHEMBL15535914

SCHEMBL15535914

COc1cc(C#N)c(-c2ccsc2)c(C#N)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
AR P10275 2/20 0.39
STK10 O94804 2/20 0.37
SLK Q9H2G2 2/20 0.37
PGR P06401 1/20 0.37
RET P07949 2/20 0.37
PDGFRB P09619 3/20 0.36
PDGFRA P16234 2/20 0.36
FASN P49327 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKCZ Q05513 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
FLT4 P35916 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK2A1 P68400 1/20 0.36
DYRK1A Q13627 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
SCHEMBL15536667 0.82 MAOA (0.47) ARPGRFASNLMNAHSD17B10
SCHEMBL15534996 0.81 ADORA1 (0.38) ERN1RETESR1ESR2FLT4
SCHEMBL29392429 0.80 AR (0.42) ARPGRFASNLMNAMAPK1
SCHEMBL29389484 0.79 CNR2 (0.41) ERN1ARPGRFASNLMNA
SCHEMBL29392561 0.78 KDM4E (0.44) ARPGRPDGFRBPDGFRAFASN
SCHEMBL16969071 0.77 ERN1 (0.46) ERN1ARPGRPDGFRBFASN
SCHEMBL15536114 0.77 AR (0.45) ARPGRFASNLMNAHSD17B10
SCHEMBL29391740 0.77 HSD17B1 (0.42) ARPGRLMNAMAPK1HSD17B10
SCHEMBL29391998 0.77 KDM4E (0.43) ARPGRFASNLMNAMAPK1
SCHEMBL15547953 0.77 HSD17B1 (0.42) ARPGRLMNAMAPK1HSD17B10

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 ERN1 3092/4885AR 1837/4885STK10 3951/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885AR 1837/4885STK10 3951/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885AR 1837/4885STK10 3951/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885AR 1837/4885STK10 3951/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ERN1 3092/4885AR 1837/4885STK10 3951/4885

“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.