SCHEMBL2810030

SCHEMBL2810030

CC(O)COc1ccc(-c2cn3cc(I)ccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.54
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PKM P14618 3/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A3 P47895 3/20 0.48
KDM4E B2RXH2 5/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HRH3 Q9Y5N1 4/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
KDM5A P29375 1/20 0.43
KDM5C P41229 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1727234 0.83 NPC1 (0.69) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1726360 0.82 APP (0.56) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1728195 0.80 APP (0.53) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2431791 0.79 APP (0.62) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2901138 0.79 ALDH1A3 (0.75) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL796015 0.79 APP (0.59) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1727344 0.78 APP (0.62) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21566106 0.77 ALDH1A3 (0.44) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21565863 0.77 ALDH1A3 (0.44) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15177306 0.77 APP (0.73) APPNPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249419-A1 UTILIZATION OF NOVEL COMPOUNDS WITH AMYLOID AFFINITY AND METHOD OF PRODUCING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-09-30 US disclosed
EP-2216050-A1 UTILIZATION OF NOVEL COMPOUNDS WITH AMYLOID AFFINITY AND METHOD OF PRODUCING THE SAME Nihon Medi-Physics Co., Ltd. (JP) 2010-08-11 EP 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-20100249419-A1 UTILIZATION OF NOVEL COMPOUNDS WITH AMYLOID AFFINITY AND METHOD OF PRODUCING THE SAME APBA1, S100A4, APP APP 3/4885NPC1 1367/4885RAB9A 3248/4885

“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.