SCHEMBL12264732

SCHEMBL12264732

O=C(CCOCCOCCOCCOCCn1cc(Cn2ccnc2[N+](=O)[O-])nn1)NCCF

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ FOLH1 Q04609 5/20 0.37
▸ CA12 O43570 4/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ MMP2 P08253 4/20 0.36
▸ MMP9 P14780 4/20 0.36
▸ MMP8 P22894 4/20 0.36
▸ MMP13 P45452 4/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ DGAT1 O75907 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD3 P35462 2/20 0.33

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
SCHEMBL27829237 0.86 DRD2 (0.42) LMNATHRBCYP2C19FOLH1CA12
SCHEMBL12264736 0.85 DGAT1 (0.38) LMNATHRBCYP2C19FOLH1CA12
SCHEMBL12264731 0.82 LMNA (0.41) LMNATHRBCYP2C19CA12CA1
SCHEMBL12427881 0.79 TYMP (0.43) LMNATHRBCYP2C19CA12CA1
SCHEMBL943184 0.79 TYMP (0.43) LMNATHRBCYP2C19CA12CA1
SCHEMBL12264734 0.76 CYP3A4 (0.35) FOLH1CYP3A4CYP2D6OPRK1DGAT1
SCHEMBL941529 0.75 LMNA (0.46) LMNATHRBCYP2C19CA12CA1
SCHEMBL12264733 0.74 EGFR (0.36) FOLH1MMP2MMP9MMP8MMP13
SCHEMBL22736883 0.73 LMNA (0.50) LMNATHRBCYP2C19FOLH1CA12
SCHEMBL13104167 0.73 CYP3A4 (0.56) LMNATHRBCYP2C19CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005972-A1 Application of Staudinger Ligation in PET Imaging SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-03 — — US disclosed
US-20130005972-A1 Application of Staudinger Ligation in PET Imaging SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-03 — — US disclosed
WO-2011123444-A1 APPLICATION OF STAUDINGER LIGATION IN PET IMAGING SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-10-06 — — 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-20130005972-A1 Application of Staudinger Ligation in PET Imaging SSTR4, TIE1, STAU1 LMNA 4467/4885THRB 2250/4885CYP2C19 1811/4885

“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.

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