SCHEMBL7712237

SCHEMBL7712237

NOC(=O)/C=C/c1cccc2ccn(Cc3ccccc3)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 12/20 0.56
▸ APP P05067 3/20 0.56
▸ SNCA P37840 2/20 0.56
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ PTGER4 P35408 2/20 0.40
▸ PTGER1 P34995 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PTGER2 P43116 1/20 0.38

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
SCHEMBL16130521 0.90 PTGER3 (0.49) PTGER3APPSNCAHDAC3HDAC4
SCHEMBL7712247 0.88 PTGER3 (0.61) PTGER3APPSNCAHDAC3HDAC4
SCHEMBL7706232 0.81 APP (0.56) APPSNCAHDAC3HDAC4HDAC1
SCHEMBL23004891 0.76 APP (0.63) PTGER3APPSNCA
SCHEMBL2884663 0.76 PTGER3 (0.62) PTGER3APPSNCAHDAC3HDAC4
SCHEMBL2884659 0.76 PTGER3 (0.62) PTGER3APPSNCAHDAC3HDAC4
SCHEMBL8354469 0.75 HDAC3 (0.47) PTGER3HDAC3HDAC4HDAC1HDAC7
SCHEMBL7714740 0.75 BACE1 (0.67) APPSNCAHDAC3HDAC4HDAC1
SCHEMBL7712587 0.75 HDAC1 (0.70) APPSNCAHDAC3HDAC4HDAC1
SCHEMBL7652408 0.71 NOTUM (0.56) PTGER3APPSNCAPTGER4PTGER1

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
US-9598364-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-21 — — US disclosed
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2014-12-11 — — US disclosed
US-8846748-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2014-09-30 — — US disclosed
US-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2011-10-06 — — 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 (2 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-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B PTGER3 1741/4885APP 4767/4885SNCA 2763/4885
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B PTGER3 1741/4885APP 4767/4885SNCA 2763/4885

“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.

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