SCHEMBL537112

SCHEMBL537112

N=C(N)NCCC[C@@H](C(N)=O)N(C(=O)[C@@H](N)Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
NPY4R P50391 5/20 0.35
NPY1R P25929 3/20 0.35
NPY2R P49146 2/20 0.35
NPY5R Q15761 2/20 0.35
CAPN1 P07384 1/20 0.35
CTSB P07858 1/20 0.35
EPHX2 P34913 2/20 0.35
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 1/20 0.34
METAP2 P50579 2/20 0.34
METAP1 P53582 1/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 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
SCHEMBL14861006 0.85 ANPEP (0.40) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL7860951 0.85 ANPEP (0.40) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL537113 0.84 MC4R (0.40) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL28896045 0.78 MMP9 (0.41) EPHX2METAP2METAP1MC4RMC5R
SCHEMBL27913206 0.77 ANPEP (0.43) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL27913200 0.77 ANPEP (0.43) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL1673135 0.76 MC4R (0.38) NPY4RNPY1RNPY2RNPY5REPHX2
SCHEMBL27797839 0.76 MC4R (0.38) NPY4RNPY1RNPY2RNPY5REPHX2
SCHEMBL5636527 0.74 ALPI (0.40) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL27664365 0.74 MC4R (0.37) ANPEPRNPEPDNPEPNPY4RNPY1R

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946422-B2 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
EP-2414368-B1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-11-27 EP disclosed
WO-2013096785-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC. (US) 2013-06-27 US disclosed
EP-1664062-B1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-03-13 EP disclosed
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-8114888-B2 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
EP-2414368-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2012-02-08 EP disclosed
WO-2006118605-A2 8A, 9-DIHYDRO-4A-H-ISOTHIAZOLO[5,4-B] QUINOLINE-3, 4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-11-09 WO disclosed
US-20060235041-A1 New isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2006-10-19 US disclosed
WO-2006089054-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-24 WO disclosed
WO-2006084053-A1 8-N-SUBSTITUTED-2H-ISOTHIAZOLO[5,4-B]QUINOLIZINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTIINFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060173026-A1 8-N-substituted-2H-isothiazolo[5,4-b]quinolizine-3,4-diones and related compounds as antiinfective agents ACHILLION PHARMACEUTICALS, INC. 2006-08-03 US disclosed
WO-2006074317-A1 1-THIA-2,4A-DIAZA-CYCLOPENTA[B]NAPHTHALENE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-07-13 WO disclosed
EP-1664062-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
US-20060100215-A1 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2006-05-11 US disclosed
US-20050075363-A1 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2005-04-07 US disclosed
WO-2005019228-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2005-03-03 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 (7 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-20130165471-A1 2-SUBSTITUTED-THIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, DDX5, QTRT2 ANPEP 4136/4885RNPEP 3275/4885DNPEP 4477/4885
US-20050075363-A1 Isothiazoloquinolones and related compounds as anti-infective agents TOP1, IRF3, RECQL ANPEP 4496/4885RNPEP 4273/4885DNPEP 4621/4885
US-20060173026-A1 8-N-substituted-2H-isothiazolo[5,4-b]quinolizine-3,4-diones and related compounds as antiinfective agents TOP1, TOP2A, DNA2 ANPEP 3937/4885RNPEP 4142/4885DNPEP 3708/4885
US-20060235041-A1 New isothiazoloquinolones and related compounds as anti-infective agents TOP1, RECQL, IRF3 ANPEP 4453/4885RNPEP 4162/4885DNPEP 4604/4885
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, RECQL, IRF3 ANPEP 4453/4885RNPEP 4162/4885DNPEP 4604/4885
US-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, TOP2B, DNA2 ANPEP 4697/4885RNPEP 4072/4885DNPEP 4714/4885
US-20060100215-A1 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents RECQL, DNA2, REV1 ANPEP 4458/4885RNPEP 3488/4885DNPEP 3926/4885

“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.