SCHEMBL3049451

SCHEMBL3049451

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.40
MAPT P10636 8/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
GRM6 O15303 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP19A1 P11511 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 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
SCHEMBL5692102 0.88 MAPT (0.41) VCAM1MAPTSMN1; SMN2CYP19A1TDP1
SCHEMBL5278989 0.87 SMN1; SMN2 (0.44) VCAM1MAPTSMN1; SMN2LMNAGRIA1
SCHEMBL3058223 0.84 TDP1 (0.40) VCAM1MAPTSMN1; SMN2LMNAGRIA1
SCHEMBL5692257 0.83 VCAM1 (0.36) VCAM1MAPTKDM4EALDH1A1
SCHEMBL5481793 0.81 MAPT (0.60) VCAM1MAPTLMNAPOLBHPGD
SCHEMBL12288117 0.80 MAPT (0.48) VCAM1MAPTLMNAPOLBTDP1
SCHEMBL10602642 0.79 MAPT (0.60) VCAM1MAPTSMN1; SMN2GRIA1GRIA2
SCHEMBL6872660 0.77 SMN1; SMN2 (0.48) VCAM1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL3049771 0.76 TDP1 (0.46) VCAM1MAPTSMN1; SMN2LMNAGRIA1
SCHEMBL6204238 0.75 SMN1; SMN2 (0.41) VCAM1MAPTSMN1; SMN2LMNAGRIA1

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 5 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
US-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 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 (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 VCAM1 2795/4885MAPT 10/4885SMN1; SMN2 432/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 VCAM1 1229/4885MAPT 1877/4885SMN1; SMN2 4885/4885

“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.