SCHEMBL650219

SCHEMBL650219

O=[N+]([O-])c1ccc2[nH]c[c]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
CYP3A4 P08684 3/20 0.45
NAMPT P43490 1/20 0.45
XDH P47989 1/20 0.45
MAPT P10636 2/20 0.44
NOS1 P29475 2/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 1/20 0.44
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
DAO P14920 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 2/20 0.41

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
SCHEMBL649172 0.86 CYP3A4 (0.49) GRIA1GRIA2GRIA3GRIA4CYP3A4
SCHEMBL5357066 0.72 ALDH1A1 (0.49) CYP3A4MAPTPOLBMAOBLMNA
SCHEMBL2980594 0.71 MAPT (0.51) GRIA1GRIA2GRIA3GRIA4CYP3A4
SCHEMBL2072913 0.69 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4CYP3A4
SCHEMBL207776 0.67 AHR (0.42) DAOTSHRALDH1A1
SCHEMBL207490 0.67 AHR (0.42) MAPTNOS1POLBLMNATSHR
SCHEMBL207738 0.67 AHR (0.42) NOS1LMNACYP19A1
SCHEMBL1399575 0.67 NOS1 (0.35) NOS1
SCHEMBL29540314 0.67 GABRA1 (0.70) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL155013 0.67 GABRA1 (0.70) GRIA1GRIA2GRIA3GRIA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884886-B2 Disulfide masked prodrug compositions and methods MERCK SHARP & DOHME (US) 2018-02-06 US claimed
WO-2009020771-A2 RNAI AGENTS COMPRISING UNIVERSAL NUCLEOBASES ALNYLAM PHARMACEUTICALS, INC. (US) 2009-02-12 WO claimed
US-20080213891-A1 RNAi Agents Comprising Universal Nucleobases ALNYLAM PHARMACEUTICALS, INC. (US) 2008-09-04 US claimed
US-7323488-B2 Chromogenic enzyme substrates BURTON MICHAEL 2008-01-29 US claimed
EP-1436411-B1 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2005-12-14 EP claimed
US-20050124556-A1 Chromogenic enzyme substrates BURTON MICHAEL (GB) 2005-06-09 US claimed
EP-1436411-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY Burton, Michael (GB) 2004-07-14 EP claimed
WO-2003035896-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2003-05-01 WO claimed
US-4831045-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US claimed
EP-0045165-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITORS CONTAINING SUCH DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1986-03-12 EP claimed
EP-0047109-B1 RHODANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITOR CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP claimed
EP-0122109-A2 Preparation of cyano- or aminoalkyl substituted aromatic amines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-10-17 EP claimed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 EP claimed
CN-117402829-A Dual control for therapeutic cell activation or elimination 贝里坤制药股份有限公司 2024-01-16 CN disclosed
CN-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 CN disclosed
CN-113943244-A Sulfur-containing gamma, gamma-diindolyl butyramide compound prepared by double-functionalization reaction 温州大学 2022-01-18 CN disclosed
US-4464382-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 US disclosed
US-4446143-A Rhodanine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1984-05-01 US disclosed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 EP disclosed
EP-0045165-A1 Rhodanine derivatives, a process for their preparation, and aldose reductase inhibitors containing such derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1982-02-03 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 (2 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-20080213891-A1 RNAi Agents Comprising Universal Nucleobases NOP2, NOP58, FBL GRIA1 3649/4885GRIA2 3573/4885GRIA3 2904/4885
US-20050124556-A1 Chromogenic enzyme substrates DCXR, MGAM, IDE GRIA1 3970/4885GRIA2 3816/4885GRIA3 3788/4885

“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.