SCHEMBL17717644

SCHEMBL17717644

CCN(CC)c1ccc(-c2nc3ccccc3[nH]2)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.65
▸ F10 P00742 1/20 0.65
▸ PLG P00747 1/20 0.65
▸ PLAU P00749 1/20 0.65
▸ PLAT P00750 1/20 0.65
▸ PRSS1 P07477 1/20 0.65
▸ NPC1 O15118 9/20 0.61
▸ RAB9A P51151 9/20 0.61
▸ NPSR1 Q6W5P4 7/20 0.61
▸ MAPT P10636 6/20 0.61
▸ LMNA P02545 5/20 0.61
▸ HTT P42858 5/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ POLB P06746 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ USP2 O75604 2/20 0.61
▸ ATM Q13315 2/20 0.61
▸ CASP1 P29466 1/20 0.61
▸ BRCA1 P38398 1/20 0.61

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
SCHEMBL17711232 0.85 F2 (0.55) F2F10PLGPLAUPLAT
SCHEMBL17711233 0.85 F2 (0.64) F2F10PLGPLAUPLAT
SCHEMBL7391988 0.83 F2 (0.64) F2F10PLGPLAUPLAT
SCHEMBL13406013 0.82 F2 (0.55) F2F10PLGPLAUPLAT
SCHEMBL12834350 0.81 PDE5A (0.61) F2F10PLGPLAUPLAT
SCHEMBL17717643 0.81 LMNA (0.51) F2F10PLGPLAUPLAT
SCHEMBL27829829 0.79 ADORA2A (0.49) F2F10PLGPLAUPLAT
SCHEMBL28673804 0.79 NPC1 (0.67) F2F10PLGPLAUPLAT
SCHEMBL17717642 0.79 F2 (0.61) F2F10PLGPLAUPLAT
SCHEMBL31429744 0.79 AMY1A (0.67) F2F10PLGPLAUPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822164-B2 Labelling agent, and composition for labelling a protein, method for labelling a protein, and method for detecting a protein KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-11-21 — — US disclosed
US-9822164-B2 Labelling agent, and composition for labelling a protein, method for labelling a protein, and method for detecting a protein KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-11-21 — — US disclosed
US-20160121293-A1 LABELLING AGENT, AND COMPOSITION FOR LABELLING A PROTEIN, METHOD FOR LABELLING A PROTEIN, AND METHOD FOR DETECTING A PROTEIN KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-05-05 — — US disclosed
US-20160121293-A1 LABELLING AGENT, AND COMPOSITION FOR LABELLING A PROTEIN, METHOD FOR LABELLING A PROTEIN, AND METHOD FOR DETECTING A PROTEIN KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-05-05 — — 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-20160121293-A1 LABELLING AGENT, AND COMPOSITION FOR LABELLING A PROTEIN, METHOD FOR LABELLING A PROTEIN, AND METHOD FOR DETECTING A PROTEIN OR10J3, NR1H3, NR1H2 F2 3411/4885F10 1102/4885PLG 4867/4885

“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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