SCHEMBL12264736

SCHEMBL12264736

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 11/20 0.38
▸ FOLH1 Q04609 4/20 0.38
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ TYMP P19971 3/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL12264731 0.89 LMNA (0.41) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL27829237 0.87 DRD2 (0.42) FOLH1LMNATHRBCYP2C19TYMP
SCHEMBL12264732 0.85 LMNA (0.42) DGAT1FOLH1LMNATHRBCYP2C19
SCHEMBL12264734 0.83 CYP3A4 (0.35) DGAT1FOLH1CYP3A4CYP2D6OPRK1
SCHEMBL12264733 0.82 EGFR (0.36) DGAT1FOLH1CYP3A4CYP2D6OPRK1
SCHEMBL941529 0.81 LMNA (0.46) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL12427963 0.78 TYMP (0.43) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL12427881 0.78 TYMP (0.43) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL943184 0.78 TYMP (0.43) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL12427908 0.76 TYMP (0.44) LMNATHRBCYP2C19CYP3A4CYP2D6

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 DGAT1 2955/4885FOLH1 1226/4885LMNA 4467/4885

“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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