SCHEMBL16098596

SCHEMBL16098596

CC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.60
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 5/20 0.42
RECQL P46063 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PDE7A Q13946 1/20 0.40
GFER P55789 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL6823722 0.90 HTT (0.59) TDP1ALDH1A1CYP3A4HTTTSHR
SCHEMBL6825987 0.90 HTT (0.59) TDP1ALDH1A1CYP3A4HTTTSHR
SCHEMBL9687587 0.86 HTT (0.46) TDP1ALDH1A1CYP3A4HTTTSHR
SCHEMBL61078 0.84 ALDH1A1 (0.51) TDP1ALDH1A1CYP3A4HTTTSHR
SCHEMBL1157615 0.82 HTT (0.54) TDP1ALDH1A1CYP3A4HTTMAPT
SCHEMBL18359615 0.82 S1PR4 (0.48) TDP1ALDH1A1CYP3A4HTTTSHR
SCHEMBL2076302 0.82 HTT (0.54) TDP1ALDH1A1HTTMAPTMEN1
SCHEMBL62955 0.81 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4HTTTSHR
SCHEMBL6823725 0.78 HTT (0.45) ALDH1A1CYP3A4HTTTSHRGAA
SCHEMBL5058510 0.77 ALDH1A1 (0.45) TDP1ALDH1A1HTTMAPTMEN1

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-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
EP-2976343-A2 SUBSTITUTED N-BIPHENYL-3-ACETYLAMINO-BENZAMIDES AND N-[3-(ACETYLAMINO)PHENYL]-BIPHENYL-CARBOXAMIDES AND THEIR USE AS INHIBITORS OF THE WNT SIGNALLING PATHWAY Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 TDP1 1992/4885ALDH1A1 325/4885CYP3A4 1384/4885

“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.