SCHEMBL3060140

SCHEMBL3060140

CCCCN(CCCC)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
CYP3A4 P08684 3/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 4/20 0.43
VCAM1 P19320 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDR P35968 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH3A1 P30838 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39
HCAR3 P49019 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL3059939 0.94 MAPT (0.56) MAPTCYP3A4MAPK1POLBLMNA
SCHEMBL3054634 0.91 MAPT (0.63) MAPTCYP3A4MAPK1POLBLMNA
SCHEMBL7792084 0.84 MAPT (0.55) MAPTCYP3A4MAPK1POLBLMNA
SCHEMBL3835000 0.84 MAPT (0.67) MAPTCYP3A4MAPK1POLBLMNA
SCHEMBL7470399 0.83 MAPT (0.61) MAPTCYP3A4MAPK1POLBLMNA
SCHEMBL7475387 0.83 MAPT (0.61) MAPTCYP3A4MAPK1TSHRTDP1
SCHEMBL3051207 0.82 MAPT (0.52) MAPTCYP3A4MAPK1POLBLMNA
SCHEMBL3047176 0.81 CYP3A4 (0.56) MAPTCYP3A4MAPK1LMNATSHR
SCHEMBL5692170 0.80 MAPT (0.43) MAPTCYP3A4MAPK1POLBLMNA
SCHEMBL3050952 0.80 MAPT (0.46) MAPTCYP3A4MAPK1POLBTSHR

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 10/4885CYP3A4 3707/4885MAPK1 1024/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 MAPT 1877/4885CYP3A4 180/4885MAPK1 773/4885

“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.