SCHEMBL622422

SCHEMBL622422

O=Cc1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
EPHX2 P34913 1/20 0.50
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL2917661 0.85 HTT (0.55) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL3328663 0.84 HDAC1 (0.55) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL5339491 0.76 NAT1 (0.56) KMT2ARAB9APDE3A
SCHEMBL5339497 0.76 NAT1 (0.56) KMT2ARAB9APDE3A
SCHEMBL10509516 0.76 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL1332876 0.76 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL15875502 0.76 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL30199790 0.76 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL3601956 0.76 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL7454625 0.76 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2022-01-25 US disclosed
US-20210052597-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS CADILA HEALTHCARE LIMITED (IN) 2021-02-25 US disclosed
US-20210052597-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS CADILA HEALTHCARE LIMITED (IN) 2021-02-25 US disclosed
EP-3746438-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Cadila Healthcare Limited (IN) 2020-12-09 EP disclosed
US-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 US disclosed
CN-111757879-A Heterocyclic compounds useful as antibacterial agents 卡地拉健康护理有限公司 2020-10-09 CN disclosed
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-07 US disclosed
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
EP-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed
CN-110403939-A For treating the tricyclic nitrogenous compound of N. gonorrhoeae infections GLAXOSMITHKLINE INTELECTUAL PROPERTY DEV LTD 2019-11-05 CN disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO disclosed
WO-2003064421-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-07 WO disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 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 (4 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-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 HTT 2497/4885ALDH1A1 2255/4885LMNA 2206/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE HTT 1654/4885ALDH1A1 300/4885LMNA 2751/4885
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GMPS, GNE, DHPS HTT 2511/4885ALDH1A1 1200/4885LMNA 1851/4885
US-20210052597-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS ABCB11, DHPS, MRPL21 HTT 3609/4885ALDH1A1 171/4885LMNA 4636/4885

“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.