SCHEMBL633656

SCHEMBL633656

O=C1COc2cc[c]nc2N1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.39
NR3C2 P08235 8/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NR3C1 P04150 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
SCHEMBL655255 0.72 NR3C2 (0.47) MMP12NR3C2ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL30048713 0.72 NPC1 (0.44) MMP12NR3C2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2481507 0.72 MMP12 (0.39) MMP12NR3C2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2489889 0.72 NR3C2 (0.50) MMP12NR3C2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL29569 0.70 NPC1 (0.45) MMP12NR3C2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL29397815 0.70 NPC1 (0.45) MMP12NR3C2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2767148 0.70 MMP12 (0.37) MMP12NR3C2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL467555 0.69 NPC1 (0.41) ALDH1A1SMN1; SMN2MAPTCYP11B1CYP11B2
SCHEMBL3262979 0.69 NR3C2 (0.47) MMP12NR3C2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL592791 0.69 NR3C2 (0.47) MMP12NR3C2ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP claimed
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US claimed
EP-2144910-B1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2015-10-28 EP claimed
US-20140336169-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2014-11-13 US claimed
US-8748607-B2 Imidazopyrizine syk inhibitors GILEAD CONNECTICUT, INC. (US) 2014-06-10 US claimed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP claimed
US-20130237521-A1 IMIDAZOPYRIZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-09-12 US claimed
US-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-09-12 US claimed
EP-2254887-B9 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-05-29 EP claimed
US-8389524-B2 Tricyclic nitrogen containing compounds as antibacterial agents GLAXO GROUP LIMITED (GB) 2013-03-05 US claimed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP claimed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP claimed
EP-1567520-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP claimed
EP-1560821-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP claimed
US-20050159411-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2005-07-21 US claimed
WO-2004096982-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-11 WO claimed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 WO claimed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO 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-5373007-A Lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-12-13 US claimed

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-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 MMP12 1001/4885NR3C2 1811/4885ALDH1A1 4166/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 MMP12 1530/4885NR3C2 3676/4885ALDH1A1 2255/4885
US-20140336169-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 MMP12 1001/4885NR3C2 1811/4885ALDH1A1 4166/4885
US-20050159411-A1 Aminopiperidine derivatives AMPD2, AMPD3, NPEPPS MMP12 2523/4885NR3C2 4458/4885ALDH1A1 1245/4885
US-20130237521-A1 IMIDAZOPYRIZINE SYK INHIBITORS SYK, ZAP70, BTK MMP12 835/4885NR3C2 1895/4885ALDH1A1 4333/4885

“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.