SCHEMBL19733666

SCHEMBL19733666

CC(C)(CCc1ccc([N+](=O)[O-])cc1N)[Si](C)(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 8/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 2/20 0.39
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
GFER P55789 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
APEX1 P27695 1/20 0.36
CASP6 P55212 1/20 0.36

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
SCHEMBL2668038 0.76 TSHR (0.49) TSHRALDH1A1HTTMAPTCYP1A2
SCHEMBL7001023 0.75 GAA (0.56) CYP3A4GAATHRBTSHRTDP1
SCHEMBL1771537 0.75 CYP3A4 (0.56) CYP3A4GAATHRBTSHRTDP1
SCHEMBL30873107 0.75 CYP3A4 (0.56) CYP3A4GAATHRBTSHRTDP1
SCHEMBL588348 0.75 CYP3A4 (0.63) CYP3A4GAATHRBTSHRTDP1
SCHEMBL5222516 0.74 CYP3A4 (0.53) CYP3A4GAATHRBTSHRTDP1
SCHEMBL19733667 0.73 L3MBTL1 (0.48) GAAALDH1A1HTTMAPTPOLB
SCHEMBL14671132 0.73 CYP2C19 (0.45) GAAALDH1A1HTTMAPTCYP1A2
SCHEMBL2566274 0.73 CYP3A4 (0.53) CYP3A4GAATHRBTSHRTDP1
SCHEMBL15338405 0.72 TSHR (0.50) CYP3A4TSHRALDH1A1POLBKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360952-A1 BIOMOLECULE CONJUGATES CELGENE CORPORATION 2017-12-21 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-20170360952-A1 BIOMOLECULE CONJUGATES DNPEP, NAPA, NCL CYP3A4 3479/4885GAA 438/4885THRB 3978/4885

“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.