SCHEMBL3048348

SCHEMBL3048348

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
TSHR P16473 3/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH3A1 P30838 1/20 0.36
HPGD P15428 1/20 0.36
HCAR3 P49019 2/20 0.36
VCAM1 P19320 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL5693115 0.85 MAPT (0.40) MAPTTSHRALDH1A1CYP3A4ALDH3A1
SCHEMBL3057864 0.82 VCAM1 (0.36) MAPTTSHRALDH1A1CYP3A4CYP1A2
SCHEMBL3049772 0.82 AR (0.44) MAPTTSHRALDH1A1CYP3A4CYP1A2
SCHEMBL5692137 0.82 MAPT (0.40) MAPTTSHRALDH1A1CYP3A4CYP1A2
SCHEMBL3054634 0.80 MAPT (0.63) MAPTTSHRALDH1A1CYP3A4ALDH3A1
SCHEMBL3040881 0.80 VCAM1 (0.45) MAPTTSHRALDH1A1CYP3A4CYP1A2
SCHEMBL7791752 0.76 MAPT (0.48) MAPTTSHRALDH1A1L3MBTL1HPGD
SCHEMBL3060140 0.74 MAPT (0.59) MAPTTSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL3835000 0.73 MAPT (0.67) MAPTTSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL29740665 0.73 MAPT (0.72) MAPTTSHRALDH1A1CYP3A4L3MBTL1

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 10 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-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-12-05 US disclosed
US-11826430-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-11-28 US disclosed
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 (4 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 10/4885TSHR 4649/4885ALDH1A1 3472/4885
US-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 MAPT 4011/4885TSHR 115/4885ALDH1A1 3398/4885
US-11826430-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 MAPT 4011/4885TSHR 115/4885ALDH1A1 3398/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 MAPT 1877/4885TSHR 381/4885ALDH1A1 824/4885

“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.