SCHEMBL3757350

SCHEMBL3757350

O=c1[nH]nnc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.59
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DAO P14920 1/20 0.45
CYP3A4 P08684 1/20 0.45
NAMPT P43490 1/20 0.45
XDH P47989 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL17950465 0.87 DAO (0.49) PARP1CA12CA9DAOCYP3A4
SCHEMBL3887990 0.78 CYP3A4 (0.57) PARP1L3MBTL1CYP3A4NAMPTXDH
SCHEMBL238008 0.75 MAPT (0.51) CA12CA9L3MBTL1CYP3A4NAMPT
SCHEMBL158065 0.74 PARP1 (1.00) PARP1CA12CA9L3MBTL1CYP3A4
SCHEMBL10879458 0.74 MAPT (0.52) PARP1CA12CA9L3MBTL1DAO
SCHEMBL8424660 0.73 MAPT (0.50) CA12CA9L3MBTL1CYP3A4NAMPT
Silver SCHEMBL9173415 0.73 MAPT (0.50) CA12CA9L3MBTL1CYP3A4NAMPT
SCHEMBL2257236 0.73 PARP1 (0.57) PARP1CA12CA9MAPTHPGD
SCHEMBL17950474 0.73 TXNRD1 (0.42) PARP1DAOCYP3A4NAMPTXDH
SCHEMBL29839746 0.73 PARP1 (0.57) PARP1CA12CA9MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016116058-A1 TRIAZINE HETEROCYCLIC COMPOUND WITH NEMATICIDAL ACTIVITY AND PREPARATION METHOD THEREFOR AND USAGE THEREOF 华东理工大学 2016-07-28 WO disclosed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 WO disclosed
US-6348433-B1 3-PHENYLSULFONYL-3,4-DIHYDROBENZO(E)TRIAZIN-4-ONE DERIVATIVES; STORAGE STABILITY; HIGH DENSITY COLOR DEVELOPMENT; RADIATION RESISTANCE FUJI PHOTO FILM CO., LTD. (JP) 2002-02-19 US disclosed
EP-0108352-B1 3-(3-IODOPROPARGYL)-BENZO-1,2,3-TRIAZIN-4-ONES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS MICROBICIDES BAYER AG (DE) 1986-04-02 EP disclosed
US-4520023-A FUNGICIDES, BACTERICIDES, ALGICIDES, SLIMICIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-05-28 US disclosed
EP-0108352-A2 3-(3-Iodopropargyl)-benzo-1,2,3-triazin-4-ones, process for their preparation and their application as microbicides BAYER AG (DE) 1984-05-16 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 (1 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-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 PARP1 400/4885CA12 2697/4885CA9 3486/4885

“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.