SCHEMBL3020052

SCHEMBL3020052

Brc1ccc2c(c1)C[N]CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.46
ASIC3 Q9UHC3 1/20 0.41
METAP1 P53582 1/20 0.35
ADRA2A P08913 3/20 0.34
PARP10 Q53GL7 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP2 O95551 1/20 0.34
PARP11 Q9NR21 1/20 0.34
PARP1 P09874 1/20 0.34
HSD17B3 P37058 1/20 0.34
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL2303460 0.92 ASIC3 (0.46) PNMTASIC3METAP1ADRA2APARP10
SCHEMBL577455 0.82 PNMT (0.42) PNMTASIC3METAP1ADRA2AADRA2B
SCHEMBL1991616 0.75 HTR5A (0.37) ADRA2APARP10ADRA2BADRA2CPARP1
SCHEMBL446278 0.75 LMNA (0.38) ADRA2AHSD17B3KDR
SCHEMBL5543450 0.75 PNMT (0.46) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL585704 0.75 HTR2A (0.48) PNMTMETAP1ADRA2APARP10ADRA2B
SCHEMBL13594 0.74
Ammonia Solution, Strong SCHEMBL8701960 0.72 PNMT (0.56) PNMTASIC3METAP1ADRA2APARP10
SCHEMBL2302227 0.71 PNMT (0.51) PNMTCYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL2300516 0.71 PNMT (0.39) PNMTPARP10TDP2PARP1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396316-B1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
EP-2396316-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2011-12-21 EP claimed
WO-2010093727-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-19 WO claimed
US-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
US-20160015786-A1 MOBILIZING AGENTS AND USES THEREFOR MATER MEDICAL RESEARCH INSTITUTE LIMITED (AU) 2016-01-21 US disclosed
EP-2396316-B1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP disclosed
US-8937078-B2 Quinazolinones as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-01-20 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2396316-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2011-12-21 EP disclosed
WO-2010093727-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-19 WO disclosed
US-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, EGLN3, EGLN2 PNMT 1186/4885ASIC3 4215/4885METAP1 1945/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PNMT 4701/4885ASIC3 211/4885METAP1 4619/4885
US-20160015786-A1 MOBILIZING AGENTS AND USES THEREFOR HIF1AN, CXCL12, HIF1A PNMT 3252/4885ASIC3 4409/4885METAP1 1224/4885

“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.