Sugi Predict

Sugi Predict / Compounds / SCHEMBL3057464

SCHEMBL3057464

SCHEMBL3057464

CCN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PGR P06401 2/20 0.39
▸ CES2 O00748 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ALOX15 P16050 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
SCHEMBL3054241 0.85 AR (0.43) ARSIRT6MEN1KMT2AGAA
SCHEMBL20274146 0.84 AR (0.48) ARSIRT6MEN1KMT2ACYP3A4
SCHEMBL3048371 0.83 AR (0.43) ARSIRT6CYP3A4LMNACYP1A2
SCHEMBL5692395 0.79 PGR (0.43) ARMEN1KMT2ACYP2C9PGR
SCHEMBL3042677 0.77 PGR (0.45) MEN1KMT2ACYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL27940284 0.75 MEN1 (0.45) MEN1KMT2AGAALMNASMN1; SMN2
SCHEMBL3057299 0.75 CNR2 (0.57) ARSIRT6CYP3A4LMNACYP1A2
SCHEMBL5452124 0.74 MAPT (0.60) ARSIRT6MEN1KMT2ACYP3A4
SCHEMBL3054200 0.73 CYP3A4 (0.61) ARSIRT6MEN1KMT2ACYP3A4
SCHEMBL11872742 0.73 TSHR (0.48) ARSIRT6MEN1KMT2ACYP3A4

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 AR 3599/4885SIRT6 3842/4885MEN1 1465/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 AR 6/4885SIRT6 4019/4885MEN1 309/4885

“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.