SCHEMBL3058346

SCHEMBL3058346

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AR P10275 7/20 0.43
CYP3A4 P08684 4/20 0.43
MAPK1 P28482 3/20 0.43
TSHR P16473 2/20 0.43
CES2 O00748 1/20 0.43
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
TBXA2R P21731 1/20 0.43
AADAC P22760 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL5692171 0.84 MEN1 (0.36) MEN1KMT2AARCYP3A4MAPK1
SCHEMBL11461066 0.82 MEN1 (0.51) MEN1KMT2AARCYP3A4MAPK1
SCHEMBL11872742 0.82 TSHR (0.48) MEN1KMT2AARCYP3A4MAPK1
SCHEMBL5692182 0.80 AR (0.36) MEN1KMT2AARCYP3A4MAPK1
SCHEMBL3054200 0.80 CYP3A4 (0.61) MEN1KMT2AARCYP3A4MAPK1
SCHEMBL3050970 0.79 MEN1 (0.45) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL5692395 0.78 PGR (0.43) MEN1KMT2AARCYP2C9KCNH2
Ethalfluralin SCHEMBL4899703 0.77 CYP3A4 (0.64) MEN1KMT2ACYP3A4MAPK1TSHR
Ethalfluralin SCHEMBL55014 0.77 CYP3A4 (0.64) MEN1KMT2ACYP3A4MAPK1TSHR
SCHEMBL5923594 0.77 HTT (0.48) MEN1KMT2AMAPK1ALDH1A1LMNA

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
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
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 MEN1 1465/4885KMT2A 4556/4885AR 3599/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 MEN1 309/4885KMT2A 2581/4885AR 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.