SCHEMBL16508311

SCHEMBL16508311

COc1ccc(C2=NNC(c3ccc(O)c(O)c3)C2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.69
MAOB P27338 1/20 0.69
CXCL12 P48061 1/20 0.66
HSP90AA1 P07900 2/20 0.64
HSP90AB1 P08238 2/20 0.64
ERBB2 P04626 1/20 0.58
PTGS2 P35354 3/20 0.54
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51
TUBB6 Q9BUF5 2/20 0.51

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
SCHEMBL15425075 0.91 MAOA (0.67) MAOAMAOBCXCL12HSP90AA1HSP90AB1
SCHEMBL15425082 0.90 HSP90AA1 (0.65) MAOAMAOBCXCL12HSP90AA1HSP90AB1
SCHEMBL12687343 0.83 MAOA (0.60) MAOAMAOBCXCL12HSP90AA1HSP90AB1
SCHEMBL30837237 0.82 CXCL12 (0.83) MAOAMAOBCXCL12HSP90AA1HSP90AB1
SCHEMBL22731736 0.81 HSP90AA1 (0.59) MAOAMAOBCXCL12HSP90AA1HSP90AB1
SCHEMBL15425074 0.81 CXCL12 (0.63) MAOAMAOBCXCL12HSP90AA1HSP90AB1
SCHEMBL15460410 0.80 MAOA (0.56) MAOAMAOBCXCL12HSP90AA1HSP90AB1
SCHEMBL15425077 0.80 HSP90AA1 (0.70) MAOAMAOBCXCL12HSP90AA1HSP90AB1
SCHEMBL30837175 0.80 CXCL12 (1.00) MAOAMAOBCXCL12HSP90AA1HSP90AB1
SCHEMBL1660314 0.80 MAOA (0.61) MAOAMAOBCXCL12HSP90AA1HSP90AB1

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-2307381-B1 NEW DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2021-01-13 EP disclosed
US-10435373-B2 Drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2019-10-08 US disclosed
US-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-06-30 US disclosed
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. 2011-12-01 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 (3 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-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, APP, HYPK MAOA 744/4885MAOB 741/4885CXCL12 1326/4885
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, HYPK, IK MAOA 987/4885MAOB 696/4885CXCL12 1998/4885
US-10435373-B2 Drug for inhibiting aggregation of proteins involved in diseases linked to protein aggregation and/or neurodegenerative diseases PARK7, APP, HYPK MAOA 744/4885MAOB 741/4885CXCL12 1326/4885

“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.