SCHEMBL3060338

SCHEMBL3060338

CCCCN(C)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP19A1 P11511 3/20 0.45
VCAM1 P19320 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 2/20 0.43
HCAR3 P49019 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6819352 0.94 MAPT (0.54) MAPTALDH1A1LMNAHTTHSD17B10
SCHEMBL7785198 0.89 ALDH1A1 (0.56) MAPTALDH1A1LMNAHTTHSD17B10
SCHEMBL6819775 0.89 ALDH1A1 (0.48) MAPTALDH1A1LMNAHTTHSD17B10
SCHEMBL3057834 0.85 ALDH1A1 (0.50) MAPTALDH1A1LMNAHTTHSD17B10
SCHEMBL7663855 0.85 ALDH1A1 (0.48) MAPTALDH1A1LMNAHTTHSD17B10
SCHEMBL4011648 0.84 ALDH1A1 (0.47) MAPTALDH1A1LMNAHTTHSD17B10
SCHEMBL6814695 0.84 ALDH1A1 (0.67) MAPTALDH1A1LMNAHTTHSD17B10
SCHEMBL15546153 0.82 KCNH2 (0.48) MAPTALDH1A1LMNAHTTHSD17B10
SCHEMBL3051216 0.82 ALDH1A1 (0.47) MAPTALDH1A1LMNAHTTHSD17B10
SCHEMBL5693121 0.81 MAPT (0.46) MAPTALDH1A1LMNAHTTHSD17B10

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 10/4885ALDH1A1 3472/4885LMNA 1139/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 MAPT 1877/4885ALDH1A1 824/4885LMNA 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.