SCHEMBL3306506

SCHEMBL3306506

O=C(CBr)c1cnc(Cl)cn1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.57
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GSK3B P49841 4/20 0.39
NAPRT Q6XQN6 1/20 0.34
PTPN1 P18031 2/20 0.33
GRM4 Q14833 1/20 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
SCHEMBL14387783 0.84 SIRT6 (0.57) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL20398731 0.82 SIRT6 (0.59) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL26677090 0.80 SIRT6 (0.57) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL13539179 0.80 SIRT6 (0.57) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL15759622 0.78 SIRT6 (0.53) SIRT6GSK3BPTPN1
SCHEMBL12068884 0.78 GSK3B (0.38) SIRT6GSK3BPTPN1
SCHEMBL16600931 0.78 PTPN1 (0.38) SIRT6GSK3BPTPN1
SCHEMBL30263065 0.76 SIRT6 (0.68) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL27741418 0.76 SIRT6 (0.68) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL107129 0.76 SIRT6 (0.68) SIRT6JUNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB SIRT6 3997/4885JUN 4486/4885NFKB1 1109/4885

“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.