SCHEMBL5200766

SCHEMBL5200766

O=C(CN(CCS)CCNCCS)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.58
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL5197738 0.91 SIGMAR1 (0.57) SIGMAR1POLBL3MBTL1
SCHEMBL5198814 0.89 SIGMAR1 (0.55) SIGMAR1POLBL3MBTL1
SCHEMBL5907033 0.89 SIGMAR1 (0.59) SIGMAR1POLBL3MBTL1
SCHEMBL5200298 0.86 SIGMAR1 (0.56) SIGMAR1POLBL3MBTL1
SCHEMBL5197569 0.84 SIGMAR1 (0.54) SIGMAR1POLBL3MBTL1
SCHEMBL9705744 0.80 SIGMAR1 (0.68) SIGMAR1POLBL3MBTL1
SCHEMBL5906981 0.79 SIGMAR1 (0.55) SIGMAR1POLBL3MBTL1
SCHEMBL6500245 0.79 SIGMAR1 (0.73) SIGMAR1POLBL3MBTL1
SCHEMBL5906998 0.78 SIGMAR1 (0.53) SIGMAR1POLBL3MBTL1
SCHEMBL13360982 0.78 SIGMAR1 (0.75) SIGMAR1POLBL3MBTL1

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
EP-1567495-A4 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TISSUES, ORGANS AND TUMORS HARVARD COLLEGE (US) 2007-10-31 EP disclosed
US-20060159617-A1 Small technetium-99m and rhenium labeled agents and methods for imaging tissues, organs and tumors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-07-20 US disclosed
EP-1567495-A2 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TISSUES, ORGANS AND TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-08-31 EP disclosed
WO-2004043380-A2 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TISSUES, ORGANS AND TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-05-27 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-20060159617-A1 Small technetium-99m and rhenium labeled agents and methods for imaging tissues, organs and tumors SSTR5, SSTR1, SSTR3 SIGMAR1 304/4885POLB 4630/4885L3MBTL1 2200/4885

“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.