SCHEMBL2428023

SCHEMBL2428023

N=C(NO)c1ccc(-c2cn3cc(I)ccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.56
ALDH1A1 P00352 10/20 0.47
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
KDM4E B2RXH2 8/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 4/20 0.47
GAA P10253 2/20 0.47
PAX8 Q06710 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
KDM5A P29375 1/20 0.44
KDM5C P41229 1/20 0.44
ALDH1A3 P47895 2/20 0.43
ALDH1A2 O94788 1/20 0.43
GLA P06280 1/20 0.42
HSP90AA1 P07900 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 2/20 0.40

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
SCHEMBL4951858 0.87 ALDH1A1 (0.53) APPALDH1A1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL4952786 0.86 ALDH1A1 (0.52) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL2127100 0.82 NPC1 (0.60) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL2126828 0.81 ALDH1A3 (0.55) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL15177306 0.81 APP (0.73) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL26603206 0.78 APP (0.69) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL1726415 0.78 APP (0.66) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL4947124 0.78 RAB9A (0.49) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2429884 0.78 APP (0.62) APPALDH1A1NPC1RAB9AKDM4E
SCHEMBL2431775 0.78 APP (0.58) APPALDH1A1NPC1RAB9AKDM4E

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 1/4885ALDH1A1 2231/4885NPC1 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.