SCHEMBL563279

SCHEMBL563279

N=C(N)c1cc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 10/20 0.65
BCL2L1 Q07817 1/20 0.58
SLC9A1 P19634 2/20 0.57
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
F10 P00742 6/20 0.54
PLAU P00749 3/20 0.54
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
DYRK1A Q13627 1/20 0.47
CFD P00746 1/20 0.47

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
SCHEMBL30583137 1.00 F9 (0.65) F9BCL2L1SLC9A1HDAC6HDAC3
Hydrochloric Acid SCHEMBL9402488 0.98 F9 (0.66) F9BCL2L1SLC9A1HDAC6HDAC3
Hydrochloric Acid SCHEMBL9431252 0.83 F9 (0.70) F9F10
Hydrochloric Acid SCHEMBL9432183 0.83 F9 (0.62) F9HDAC6F10PLAUCFD
SCHEMBL13116539 0.82 BCL2L1 (0.60) F9BCL2L1SLC9A1HDAC6HDAC3
SCHEMBL12820023 0.80 BCL2L1 (0.58) F9BCL2L1SLC9A1HDAC6HDAC3
SCHEMBL29366392 0.80 BCL2L1 (0.69) BCL2L1SLC9A1HDAC6HDAC3HDAC4
SCHEMBL347544 0.80 BCL2L1 (0.69) BCL2L1SLC9A1HDAC6HDAC3HDAC4
SCHEMBL13709460 0.79 F9 (0.77) F9HDAC6F10PLAUCFD
SCHEMBL13709463 0.79 F9 (1.00) F9F10

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 140 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691859-B2 Broad spectrum antibacterial compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2014-04-08 US claimed
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins BAVARI SINA 2011-04-14 US claimed
US-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease TRIGEN LIMITED (GB) 2009-09-03 US claimed
EP-1991220-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASE TRIGEN LIMITED (GB) 2008-11-19 EP claimed
WO-2007096362-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASE TRIGEN LIMITED (GB) 2007-08-30 WO claimed
US-20070112048-A1 Broad Spectrum Antibacterial Compounds U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2007-05-17 US claimed
US-20070112049-A1 nonpeptidic inhibitors of Botulinum neurotoxin A metalloprotease activity, such as 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide, used for treating, inhibiting or preventing intoxication caused by bacteria ARMY, UNITED STATES 2007-05-17 US claimed
EP-0482717-B1 Use of a benzo[b]thiophene-2-carboximidamide derivative against heart failure AKZO NOBEL NV (NL) 1994-06-08 EP claimed
US-5276052-A For treatment of heart failure AKZO N.V. (NL) 1994-01-04 US claimed
EP-0482717-A1 Use of a benzo[b]thiophene-2-carboximidamide derivative against heart failure Akzo Nobel N.V. (NL) 1992-04-29 EP claimed
EP-4680343-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-01-21 EP disclosed
WO-2024192415-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-09-19 WO disclosed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-5276052-A For treatment of heart failure AKZO N.V. (NL) 1994-01-04 US disclosed
US-5276052-A For treatment of heart failure AKZO N.V. (NL) 1994-01-04 US disclosed
EP-0482717-A1 Use of a benzo[b]thiophene-2-carboximidamide derivative against heart failure Akzo Nobel N.V. (NL) 1992-04-29 EP disclosed
EP-0482717-A1 Use of a benzo[b]thiophene-2-carboximidamide derivative against heart failure Akzo Nobel N.V. (NL) 1992-04-29 EP disclosed
EP-0482717-A1 Use of a benzo[b]thiophene-2-carboximidamide derivative against heart failure Akzo Nobel N.V. (NL) 1992-04-29 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 (4 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-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease F12, F5, F3 F9 5/4885BCL2L1 2447/4885SLC9A1 1287/4885
US-20070112048-A1 Broad Spectrum Antibacterial Compounds MPO, CAT, LPO F9 3649/4885BCL2L1 167/4885SLC9A1 3920/4885
US-20070112049-A1 nonpeptidic inhibitors of Botulinum neurotoxin A metalloprotease activity, such as 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide, used for treating, inhibiting or preventing intoxication caused by bacteria ACHE, CTRL, MMP2 F9 946/4885BCL2L1 1242/4885SLC9A1 4217/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 F9 861/4885BCL2L1 1290/4885SLC9A1 3891/4885

“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.