SCHEMBL6771822

SCHEMBL6771822

COC(=O)c1ccc([N+](=O)[O-])cc1C#CC[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
SLC6A3 Q01959 1/20 0.39
POLB P06746 2/20 0.39
F2 P00734 3/20 0.38
PLAU P00749 3/20 0.38
ELANE P08246 3/20 0.38
CTRB1 P17538 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL19511585 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTTDP1LMNA
SCHEMBL6776819 0.82 HTT (0.46) ALDH1A1SMN1; SMN2HTTTDP1LMNA
SCHEMBL6771753 0.80 HTT (0.44) ALDH1A1SMN1; SMN2HTTTDP1LMNA
SCHEMBL16050141 0.78 VCAM1 (0.53) ALDH1A1SMN1; SMN2HTTTDP1LMNA
SCHEMBL16950465 0.78 HTT (0.46) ALDH1A1SMN1; SMN2HTTTDP1LMNA
SCHEMBL17560622 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTTDP1LMNA
SCHEMBL6383101 0.76 HTT (0.41) ALDH1A1SMN1; SMN2HTTTDP1LMNA
SCHEMBL30203403 0.74 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTTDP1LMNA
SCHEMBL1403472 0.74 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTTDP1LMNA
SCHEMBL8211411 0.73 ALDH1A1 (0.46) ALDH1A1HTTLMNAMAPTKDM4E

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-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 ALDH1A1 1121/4885SMN1; SMN2 4777/4885HTT 3827/4885

“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.