SCHEMBL13078288

SCHEMBL13078288

N#Cc1cc(N=O)cc(Br)c1N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 8/20 0.38
▸ XDH P47989 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL13063496 0.78 XDH (0.33) XDH
SCHEMBL144243 0.74 ADRB2 (0.43) ADRB2XDHGAAMAPTCA1
SCHEMBL10119242 0.74 MAPT (0.56) ADRB2XDHGAAMAPTCA1
SCHEMBL29582221 0.74 ADRB2 (0.43) ADRB2XDHGAAMAPTCA1
SCHEMBL12145185 0.73 MAOB (0.34) MAPT
SCHEMBL11436064 0.72 TTR (0.50) ADRB2XDHGAAMAPTCA1
SCHEMBL28213986 0.72 GAA (0.37) GAAMAPTCA1CA2CA3
SCHEMBL31392497 0.71 ADRB2 (0.44) ADRB2XDHGAAMAPTHTT
SCHEMBL11040450 0.71 ADRB2 (0.41) ADRB2XDHGAAMAPTCA1
SCHEMBL29187435 0.70 CA2 (0.64) ADRB2CA1CA2CA3CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 — — US 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-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 ADRB2 3090/4885XDH 1031/4885GAA 3609/4885

“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.

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