SCHEMBL6073751

SCHEMBL6073751

CNS(=O)(=O)c1cccc2c(NC(C)=O)cccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.58
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
CASP6 P55212 1/20 0.47
SLC40A1 Q9NP59 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.42
CCR8 P51685 1/20 0.42
POLB P06746 1/20 0.42
FTO Q9C0B1 1/20 0.41

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
SCHEMBL2372669 0.86 EDNRA (0.57) EDNRAKMT2AMEN1RXFP1CASP6
SCHEMBL8054308 0.86 EDNRA (0.57) EDNRAKMT2AMEN1RXFP1CASP6
SCHEMBL20565327 0.85 NSD2 (0.57) EDNRAKMT2A
SCHEMBL6073527 0.84 CASP6 (0.60) EDNRAKMT2AMEN1RXFP1CASP6
SCHEMBL15461567 0.84 EDNRA (0.54) EDNRAKMT2AMEN1RXFP1CASP6
SCHEMBL23092875 0.84 EDNRA (0.55) EDNRAKMT2AMEN1RXFP1CASP6
SCHEMBL29900505 0.84 EDNRA (0.55) EDNRAKMT2AMEN1RXFP1CASP6
SCHEMBL3529089 0.83 EDNRA (0.53) EDNRAKMT2AMEN1RXFP1CASP6
SCHEMBL4446896 0.82 CCR8 (0.64) EDNRAKMT2AMEN1SLC40A1PKM
SCHEMBL21387943 0.81 RXFP1 (0.58) EDNRAKMT2AMEN1RXFP1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772480-B2 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2020-12-09 EP disclosed
EP-2772480-B1 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2018-05-23 EP disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-7026475-B2 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-04-11 US disclosed
US-20040122003-A1 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-06-24 US disclosed
US-20040116412-A1 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-06-17 US disclosed
EP-1404340-A1 NAPHTOTHIAZINE POSITIVE ALLOSTERIC AMPA RECEPTOR MODULATORS (PAARM) Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP disclosed
US-20030100552-A1 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-05-29 US disclosed
WO-2002100411-A1 NAPHTOTHIAZINE POSITIVE ALLOSTERIC AMPA RECEPTOR MODULATORS (PAARM) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-12-19 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 (3 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-20030100552-A1 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions GRM1, GRM2, GRIN1 EDNRA 389/4885KMT2A 1246/4885MEN1 3254/4885
US-20040122003-A1 Positive allosteric AMPA receptor modulators (PAARM), processes for preparing them, and their use as pharmaceutical compositions GRM1, GRM2, GRIN1 EDNRA 389/4885KMT2A 1246/4885MEN1 3254/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 EDNRA 1366/4885KMT2A 1254/4885MEN1 4518/4885

“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.