SCHEMBL2507520

SCHEMBL2507520

C1=[N+]CNc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2320525 0.64 GAA (0.36) GAAMAPTALOX15HSD17B10
SCHEMBL19679 0.64
SCHEMBL23152 0.64
SCHEMBL160159 0.60 GAA (0.38) GAAMAPTALOX15HSD17B10
SCHEMBL8535074 0.60 GAA (0.37) GAAMAPTALOX15HSD17B10
SCHEMBL34295 0.60 GAA (0.48) GAAMAPTALOX15HSD17B10
SCHEMBL29415525 0.60 GAA (0.48) GAAMAPTALOX15HSD17B10
Hydrochloric Acid SCHEMBL9047476 0.59 GAA (0.46) GAAMAPTALOX15HSD17B10
Potassium SCHEMBL9683518 0.59 GAA (0.46) GAAMAPTALOX15HSD17B10
Bromide SCHEMBL8857359 0.59 GAA (0.46) GAAMAPTALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US claimed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 WO claimed
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US disclosed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 WO disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 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 (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-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DDX5, SAMHD1, EIF2AK2 GAA 180/4885MAPT 3981/4885ALOX15 1961/4885

“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.