SCHEMBL5612883

SCHEMBL5612883

COc1ccccc1-c1c[nH]nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.53
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
XDH P47989 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSP90AA1 P07900 2/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
APP P05067 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
HSP90AB1 P08238 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44

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
SCHEMBL2197897 0.82 ALDH1A1 (0.38) ALDH1A1HPGDGAAXDHMAPT
SCHEMBL6166807 0.79 BRD4 (0.42) GAATSHR
SCHEMBL29378909 0.77 CNR2 (0.46) ALDH1A1MAPTKDM4EL3MBTL1CNR2
SCHEMBL11246560 0.77 GAA (0.47) METAP2ALDH1A1HPGDGAAHSD17B10
SCHEMBL20849 0.77 GAA (0.47) METAP2ALDH1A1HPGDGAAHSD17B10
Lithium SCHEMBL9356286 0.76 GAA (0.46) METAP2ALDH1A1HPGDGAAHSD17B10
SCHEMBL35210234 0.76 GAA (0.46) METAP2ALDH1A1HPGDGAAHSD17B10
Ammonia Solution, Strong SCHEMBL2774227 0.76 GAA (0.46) METAP2ALDH1A1HPGDGAAHSD17B10
SCHEMBL11053122 0.76 GAA (0.46) METAP2ALDH1A1HPGDGAAHSD17B10
Hydrochloric Acid SCHEMBL5705213 0.76 GAA (0.46) METAP2ALDH1A1HPGDGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US claimed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US claimed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP claimed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP claimed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO claimed
EP-3344612-B1 SPINOSYN DERIVATIVES AS INSECTICIDES AGRIMETIS LLC (US) 2020-06-17 EP disclosed
US-10570166-B2 Spinosyn derivatives as insecticides AGRIMETIS, LLC (US) 2020-02-25 US disclosed
EP-3189050-B1 ANTIVIRAL AGENTS AND USES THEREOF UNIV GRIFFITH (AU) 2020-02-05 EP disclosed
CN-106146417-B A method of 4- aryl-NH-1,2,3- triazole is prepared using aldehyde sodium bisulfite adduct 海南师范大学 2018-12-04 CN disclosed
US-20180251487-A1 SPINOSYN DERIVATIVES AS INSECTICIDES AGRIMETIS, LLC (US) 2018-09-06 US disclosed
EP-3344612-A1 SPINOSYN DERIVATIVES AS INSECTICIDES Agrimetis, LLC (US) 2018-07-11 EP disclosed
CN-107108584-A Antivirotic and its application 格里菲斯大学 2017-08-29 CN disclosed
US-20070077641-A1 Methionine aminopeptidase and methods of use PALMER LESLIE 2007-04-05 US disclosed
EP-1624849-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-15 EP disclosed
WO-2005016237-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO disclosed
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US disclosed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP disclosed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 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-10570166-B2 Spinosyn derivatives as insecticides SPIN3, ACHE, SPIN4 METAP2 1124/4885ALDH1A1 3854/4885HPGD 2670/4885
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents METAP1, METAP2, DNPEP METAP2 2/4885ALDH1A1 1107/4885HPGD 2469/4885
US-20030220371-A1 Compounds and methods METAP2, METAP1, DNPEP METAP2 1/4885ALDH1A1 1579/4885HPGD 1838/4885
US-20180251487-A1 SPINOSYN DERIVATIVES AS INSECTICIDES SPIN3, ACHE, SPIN4 METAP2 1124/4885ALDH1A1 3854/4885HPGD 2670/4885

“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.