Sugi Predict

Sugi Predict / Compounds / SCHEMBL4186756

SCHEMBL4186756

SCHEMBL4186756

CCCCCN(C)C(=O)CCCCCCCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CES2 O00748 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ AADAC P22760 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HTR6 P50406 1/20 0.46

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
SCHEMBL28172449 0.84 TMEM97 (0.55) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL4172806 0.82 ACHE (0.45) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL13697658 0.80 AR (0.53) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL13697660 0.80 AR (0.53) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL4172852 0.80 TMEM97 (0.55) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL4175434 0.79 TMEM97 (0.55) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL3061110 0.76 AR (0.58) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL5692031 0.76 AR (0.53) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL4295230 0.74 TMEM97 (0.55) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL3048651 0.74 ALDH1A1 (0.59) ARCYP3A4CES2ABCB11ALDH1A1

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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — US claimed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 — — WO claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 — — WO disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 — — 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 (1 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885CYP3A4 748/4885CES2 2452/4885

“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.