SCHEMBL2431791

SCHEMBL2431791

CC(O)c1ccc(-c2cn3cc(I)ccc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.62
NR4A2 P43354 1/20 0.54
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PAX8 Q06710 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MITF O75030 1/20 0.50
KDM5A P29375 1/20 0.50
KDM5C P41229 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
ALDH1A3 P47895 4/20 0.45
ALDH1A2 O94788 1/20 0.45
SLC2A1 P11166 1/20 0.44
HPGD P15428 2/20 0.43
TP53 P04637 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
SCHEMBL15177306 0.83 APP (0.73) APPNPC1RAB9AALDH1A1KDM4E
SCHEMBL2430531 0.83 APP (0.62) APPNR4A2NPC1RAB9AALDH1A1
SCHEMBL24320031 0.82 NPC1 (0.74) APPNPC1RAB9AALDH1A1KDM4E
SCHEMBL2431742 0.81 PTGS1 (0.71) NR4A2NPC1RAB9AALDH1A1KDM4E
SCHEMBL1473100 0.81 NR4A2 (0.76) APPNR4A2NPC1RAB9AALDH1A1
SCHEMBL1726415 0.80 APP (0.66) APPNPC1RAB9AALDH1A1KDM4E
SCHEMBL2810030 0.79 APP (0.54) APPNPC1RAB9AALDH1A1KDM4E
Bromide SCHEMBL1726261 0.79 NPC1 (0.65) APPNPC1RAB9AALDH1A1KDM4E
SCHEMBL217156 0.77 RAB9A (0.75) APPNR4A2NPC1RAB9AALDH1A1
SCHEMBL2904371 0.77 APP (0.66) APPNPC1RAB9AALDH1A1KDM4E

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-1956013-B1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO LTD (JP) 2016-04-13 EP disclosed
US-8022075-B2 Diagnostic and remedy for disease caused by amyloid aggregation and/or deposition FUJIFILM RI PHARMA CO., LTD. (JP) 2011-09-20 US disclosed
US-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO., LTD. (JP) 2009-06-25 US disclosed
EP-1956013-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION Fujifilm RI Pharma Co., Ltd. (JP) 2008-08-13 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-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION APP, TTR, BACE1 APP 1/4885NR4A2 916/4885NPC1 533/4885

“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.