SCHEMBL3050424

SCHEMBL3050424

CCCN(CC1CC1)c1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.47
CRHR1 P34998 2/20 0.46
AR P10275 8/20 0.44
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR1 P21554 1/20 0.41
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALDH3A1 P30838 1/20 0.38
POLB P06746 1/20 0.38
HCAR3 P49019 1/20 0.38

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
SCHEMBL5691992 0.80 CRHR1 (0.41) CNR2CRHR1ARCYP3A4TSHR
SCHEMBL3057299 0.79 CNR2 (0.57) CNR2CRHR1ARCYP3A4TSHR
SCHEMBL5923686 0.77 MAPT (0.50) CNR2ARCYP3A4TSHRMAPK1
SCHEMBL7478286 0.77 ALDH1A1 (0.45) ARMAPK1TP53HTTALDH1A1
SCHEMBL7470554 0.76 ALDH1A1 (0.53) ARTSHRMAPK1TDP1TP53
SCHEMBL28002055 0.74 CRHR1 (0.46) CNR2CRHR1ARCNR1
SCHEMBL186720 0.73 ALDH1A1 (0.55) ARTSHRMAPK1TDP1TP53
Profluralin SCHEMBL54045 0.73 TDP1 (0.76) CNR2ARCYP3A4TSHRMAPK1
Profluralin SCHEMBL8535232 0.73 TDP1 (0.76) CNR2ARCYP3A4TSHRMAPK1
SCHEMBL1408560 0.73 ALDH1A1 (0.48) MAPK1TP53HTTALDH1A1POLB

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 CNR2 4222/4885CRHR1 3887/4885AR 3599/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 CNR2 477/4885CRHR1 62/4885AR 6/4885

“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.