SCHEMBL1827794

SCHEMBL1827794

Cc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
GRIA2 P42262 5/20 0.57
GRIN2D O15399 5/20 0.57
GRIN3B O60391 5/20 0.57
GRIN1 Q05586 5/20 0.57
GRIN2A Q12879 5/20 0.57
GRIN2B Q13224 5/20 0.57
GRIN2C Q14957 5/20 0.57
GRIN3A Q8TCU5 5/20 0.57
GRIA1 P42261 4/20 0.57
GRIA3 P42263 4/20 0.57
GRIA4 P48058 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
TSHR P16473 2/20 0.57
GRIK1 P39086 2/20 0.57
GRIK2 Q13002 2/20 0.57
GRIK3 Q13003 2/20 0.57
GRIK4 Q16099 2/20 0.57
GRIK5 Q16478 2/20 0.57

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
SCHEMBL3686788 0.89 GRIN2D (0.74) MAPTGRIA2GRIN2DGRIN3BGRIN1
SCHEMBL13624125 0.86 MAPT (0.75) MAPTGRIA2GRIN2DGRIN3BGRIN1
SCHEMBL5311206 0.79 TSHR (0.56) MAPTCYP1A2CYP3A4TSHRHPGD
SCHEMBL12314591 0.78 MAPT (0.59) MAPTGRIA2GRIN2DGRIN3BGRIN1
SCHEMBL30349886 0.77 MAPT (0.57) MAPTGRIA2GRIN2DGRIN3BGRIN1
SCHEMBL6974351 0.77 MAPT (0.57) MAPTGRIA2GRIN2DGRIN3BGRIN1
SCHEMBL1192728 0.77 MAPT (0.57) MAPTGRIA2GRIN2DGRIN3BGRIN1
SCHEMBL2352240 0.77 TSHR (0.54) MAPTCYP1A2CYP3A4TSHRLMNA
SCHEMBL30349806 0.77 MAPT (0.52) MAPTGRIA2GRIN2DGRIN3BGRIN1
SCHEMBL762964 0.76 GRIN2D (0.70) MAPTGRIA2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US claimed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US claimed
US-20060154977-A1 Therapeutic molecules and methods-1 CORTICAL PTY LTD, CORPORATION 2006-07-13 US claimed
EP-1511736-A4 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2006-06-07 EP claimed
EP-1511736-A1 THERAPEUTIC MOLECULES AND METHODS-1 Cortical Pty Ltd (AU) 2005-03-09 EP claimed
WO-2003104203-A1 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2003-12-18 WO claimed
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 CN disclosed
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-20060154977-A1 Therapeutic molecules and methods-1 CORTICAL PTY LTD, CORPORATION 2006-07-13 US disclosed
EP-1511736-A4 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2006-06-07 EP disclosed
EP-1511736-A1 THERAPEUTIC MOLECULES AND METHODS-1 Cortical Pty Ltd (AU) 2005-03-09 EP disclosed
WO-2003104203-A1 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2003-12-18 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 (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-20060154977-A1 Therapeutic molecules and methods-1 MIF, IL1B, IL1A MAPT 4136/4885GRIA2 2436/4885GRIN2D 3685/4885
US-20100323999-A1 Therapeutic Molecules and Methods-1 MIF, IL1B, IL1A MAPT 4136/4885GRIA2 2436/4885GRIN2D 3685/4885

“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.