SCHEMBL17457683

SCHEMBL17457683

CC(CN)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.76
CYP3A4 P08684 2/20 0.76
CES2 O00748 1/20 0.76
ABCB11 O95342 1/20 0.76
ALDH1A1 P00352 1/20 0.76
LMNA P02545 1/20 0.76
CYP1A2 P05177 1/20 0.76
GLA P06280 1/20 0.76
ADORA3 P0DMS8 1/20 0.76
CHRM1 P11229 1/20 0.76
CYP2C9 P11712 1/20 0.76
ALOX15 P16050 1/20 0.76
TSHR P16473 1/20 0.76
TBXA2R P21731 1/20 0.76
AADAC P22760 1/20 0.76
MAPK1 P28482 1/20 0.76
CYP2C19 P33261 1/20 0.76
ADRA1A P35348 1/20 0.76
HTT P42858 1/20 0.76
HTR6 P50406 1/20 0.76

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
SCHEMBL11511325 0.89 AR (0.77) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL10437874 0.89 AR (0.77) ARCYP3A4CES2ABCB11ALDH1A1
Flutamide SCHEMBL1461845 0.86 AR (1.00) ARCYP3A4CES2ABCB11ALDH1A1
Flutamide SCHEMBL3934 0.86 AR (1.00) ARCYP3A4CES2ABCB11ALDH1A1
Flutamide SCHEMBL29349783 0.86 AR (1.00) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL17457688 0.85 AR (0.71) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL17457686 0.85 AR (0.71) ARCYP3A4CES2ABCB11ALDH1A1
Flutamide SCHEMBL21753660 0.85 AR (0.97) ARCYP3A4CES2ABCB11ALDH1A1
Flutamide SCHEMBL28162762 0.85 AR (0.97) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL11512254 0.84 AR (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022642-A1 Compounds Useful for Promoting Protein Degradation and Methods Using Same YALE UNIVERSITY 2016-01-28 US disclosed
US-20160022642-A1 Compounds Useful for Promoting Protein Degradation and Methods Using Same YALE UNIVERSITY 2016-01-28 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 (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-20160022642-A1 Compounds Useful for Promoting Protein Degradation and Methods Using Same AR, SHBG, PSMG3 AR 1/4885CYP3A4 3344/4885CES2 1951/4885

“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.