SCHEMBL620000

SCHEMBL620000

O=C1CSc2ccc(C(=O)O)nc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
EPHX2 P34913 1/20 0.37
HPGD P15428 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGAM O43451 2/20 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
SCHEMBL3926846 0.86 HTT (0.42) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL1267116 0.82 ALDH1A1 (0.54) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL14611166 0.82 PDE3B (0.42) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL5749110 0.82 HTT (0.40) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL17007589 0.82 PDE3B (0.42) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL13948583 0.77 HPGD (0.43) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL4142650 0.76 PDE3B (0.46) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL4142652 0.76 PDE3B (0.52) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL30047289 0.76 PDE3B (0.46) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL2292992 0.76 PDE3B (0.46) HTTPDE3BPDE3AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 US claimed
US-20150072975-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG 2015-03-12 US claimed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US claimed
WO-2012040321-A3 METHODS AND APPARATUS FOR EHNANCED GAS DISTRIBUTION GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2012-05-10 WO claimed
EP-1981881-B1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-07 EP claimed
US-7491714-B2 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2009-02-17 US claimed
EP-1981881-A1 TETRAHYDROPYRANE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP claimed
EP-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP claimed
WO-2007086016-A1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO claimed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP claimed
US-7205408-B2 Quinolines and nitrogenated derivative thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM, P.L.C. (GB) 2007-04-17 US claimed
EP-1567520-A4 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-08-02 EP claimed
JP-2006515862-A 2006-06-08 JP claimed
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2006-06-01 US claimed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO claimed
EP-1567520-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP claimed
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-15 US claimed
WO-2004050036-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-06-17 WO claimed
US-9533999-B2 Fused thiazin-3-ones as KCA3.1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-03 US disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents NCF1, TEAD1, TYMS HTT 3268/4885PDE3B 1753/4885PDE3A 1631/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 HTT 4524/4885PDE3B 2867/4885PDE3A 3503/4885
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents NQO2, NQO1, NPM1 HTT 2401/4885PDE3B 1561/4885PDE3A 1965/4885

“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.