SCHEMBL3039896

SCHEMBL3039896

C=C(C)CN(CC)c1ccc(C#N)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
VCAM1 P19320 1/20 0.45
HCAR3 P49019 1/20 0.40
ALDH3A1 P30838 1/20 0.38
MAPT P10636 7/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.35
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA3 P42263 2/20 0.35
GRIA4 P48058 2/20 0.35
GRM6 O15303 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3050970 0.90 MEN1 (0.45) MEN1KMT2AVCAM1HCAR3ALDH3A1
SCHEMBL5692011 0.81 MEN1 (0.38) MEN1KMT2AVCAM1HCAR3ALDH3A1
SCHEMBL3053986 0.80 MAPT (0.50) MEN1KMT2AVCAM1HCAR3ALDH3A1
SCHEMBL3054662 0.79 VCAM1 (0.51) MEN1KMT2AVCAM1HCAR3ALDH3A1
SCHEMBL3057297 0.78 PGR (0.44) MEN1KMT2AMAPTKDM4E
SCHEMBL5692171 0.77 MEN1 (0.36) MEN1KMT2AHCAR3ALDH3A1MAPT
SCHEMBL3058346 0.77 MEN1 (0.46) MEN1KMT2AHCAR3ALDH3A1MAPT
SCHEMBL3047731 0.76 VCAM1 (0.48) VCAM1ALDH3A1MAPTALDH1A1TDP1
SCHEMBL3055089 0.76 AR (0.49)
SCHEMBL3051509 0.76 VCAM1 (0.50) KMT2AVCAM1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
EP-1654221-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP claimed
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO 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 MEN1 1465/4885KMT2A 4556/4885VCAM1 2795/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 MEN1 309/4885KMT2A 2581/4885VCAM1 1229/4885

“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.