SCHEMBL3046306

SCHEMBL3046306

C=CCN(CC=C)c1ccc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
VCAM1 P19320 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KAT2B Q92831 1/20 0.42
ALDH3A1 P30838 2/20 0.42
KMT2A Q03164 2/20 0.39
HCAR3 P49019 2/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL4734762 0.89 VCAM1 (0.43) MAPTVCAM1LMNAMAPK1ALDH1A1
SCHEMBL16157217 0.81 ALDH3A1 (0.58) MAPTVCAM1LMNAMAPK1ALDH1A1
SCHEMBL5692409 0.80 ALDH1A1 (0.36) MAPTVCAM1LMNAMAPK1ALDH1A1
SCHEMBL5164284 0.80 ALDH1A1 (0.54) MAPTLMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL28808502 0.78 MAPK1 (0.53) MAPTVCAM1LMNAMAPK1ALDH1A1
SCHEMBL28584176 0.78 MAPT (0.50) MAPTVCAM1LMNAMAPK1ALDH1A1
SCHEMBL7456739 0.77 VCAM1 (0.49) MAPTVCAM1LMNAMAPK1ALDH1A1
SCHEMBL4302467 0.76 VCAM1 (0.58) MAPTVCAM1LMNAMAPK1ALDH1A1
SCHEMBL10990030 0.75 VCAM1 (0.54) MAPTVCAM1LMNAMAPK1ALDH1A1
SCHEMBL7983550 0.74 VCAM1 (0.64) MAPTVCAM1LMNAMAPK1KAT2B

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-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
US-20100222434-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-BETA PROTEIN ACCUMULATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-02 US disclosed
EP-2210603-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING THE ACCUMULATION OF AMYLOID- B PROTEIN Sumitomo Chemical Company, Limited (JP) 2010-07-28 EP disclosed
US-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US disclosed
EP-1654221-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 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-20100222434-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-BETA PROTEIN ACCUMULATION APP, PSEN1, BACE1 MAPT 10/4885VCAM1 2795/4885LMNA 1139/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 MAPT 1877/4885VCAM1 1229/4885LMNA 4285/4885

“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.