SCHEMBL19239797

SCHEMBL19239797

CC(C)Cc1cccc(CN=[N+]=[N-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.40
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ TAAR1 Q96RJ0 4/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAOA P21397 1/20 0.33

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
SCHEMBL30630404 0.87 PNMT (0.38) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13887515 0.85 GRIN2D (0.43) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17336911 0.82 HDAC3 (0.40) NFKB1HTR2A
SCHEMBL14872978 0.80 PDE2A (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8539519 0.79 GABRA1 (0.50) PNMTGABRA1GABRB2GRIN2DGRIN3B
SCHEMBL14648573 0.77 TAAR1 (0.46) TAAR1
SCHEMBL14870335 0.76 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27097919 0.76 PNMT (0.40) PNMTGABRA1GABRB2TAAR1SLC6A2
SCHEMBL23069027 0.75 NOS3 (0.55) NOS3NOS1NOS2HTR2A
SCHEMBL23069024 0.75 NOS3 (0.55) NOS3NOS1NOS2HTR2A

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-20170233405-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-08-17 — — 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-20170233405-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 PNMT 2882/4885GABRA1 4058/4885GABRB2 4137/4885

“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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