SCHEMBL563181

SCHEMBL563181

N=C(N)c1ccc2[nH]ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 1.00
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.52
RAD51 Q06609 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PLG P00747 3/20 0.50
PLAU P00749 3/20 0.50
PRSS1 P07477 3/20 0.50
KLKB1 P03952 1/20 0.50
KLK1 P06870 1/20 0.50
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
F12 P00748 1/20 0.48
AHR P35869 3/20 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
Acetic Acid SCHEMBL28594480 0.90 F2 (0.81) F2CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL31656329 0.85 F2 (0.73) F2PLGPLAUPRSS1KLKB1
SCHEMBL563033 0.85 F2 (0.73) F2PLGPLAUPRSS1KLKB1
Hydrochloric Acid SCHEMBL6786736 0.83 F2 (0.71) F2PLGPLAUPRSS1KLKB1
SCHEMBL27522161 0.81 F2 (0.68) F2CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL29858415 0.81 F2 (0.68) F2CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL170646 0.81 F2 (0.68) F2CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL29540009 0.81 F2 (0.68) F2CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL3708430 0.81 F2 (0.68) F2CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL7340137 0.81 F2 (0.65) F2MAPTRAB9APLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins BAVARI SINA 2011-04-14 US claimed
US-7825154-B2 Small molecule inhibitors of botulinum neurotoxins THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-11-02 US claimed
EP-1945209-A2 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS United States Government As Represented By The Secretary of The United States Army And The U.S. Army Medical Research & Materiel Command (US) 2008-07-23 EP claimed
WO-2008041966-A2 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U.S. ARMY MEDICAL RESEARCH & MATERIEL COMMAND (US) 2008-04-10 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-1140859-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-10-10 EP claimed
WO-2000035886-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-06-22 WO claimed
US-4397863-A PROPHYLAXIS RESEARCH TRIANGLE INSTITUTE (US) 1983-08-09 US claimed
US-20250258182-A1 ROCKY MOUNTAIN SPOTTED FEVER DETECTION AND TREATMENT IDEXX LABORATORIES, INC. (US) 2025-08-14 US disclosed
US-12228578-B2 Rocky mountain spotted fever detection and treatment IDEXX LABORATORIES, INC. (US) 2025-02-18 US disclosed
CN-117715658-A Method for inhibiting RAS 锐新医药公司 2024-03-15 CN disclosed
EP-4262860-A2 ROCKY MOUNTAIN SPOTTED FEVER DETECTION AND TREATMENT IDEXX Laboratories, Inc. (US) 2023-10-25 EP disclosed
US-20220196672-A1 Rocky Mountain Spotted Fever Detection and Treatment IDEXX LABORATORIES, INC. (US) 2022-06-23 US disclosed
US-4619942-A Inhibition of Respiratory Syncytial virus-induced cell fusion by amidino compounds UNIVERSITY OF NORTH CAROLINA (US) 1986-10-28 US disclosed
US-4619942-A Inhibition of Respiratory Syncytial virus-induced cell fusion by amidino compounds UNIVERSITY OF NORTH CAROLINA (US) 1986-10-28 US disclosed
US-4397863-A PROPHYLAXIS RESEARCH TRIANGLE INSTITUTE (US) 1983-08-09 US disclosed
US-4397863-A PROPHYLAXIS RESEARCH TRIANGLE INSTITUTE (US) 1983-08-09 US disclosed
US-4324794-A PREVENTION OF EPIDEMICS BY PROPHYLACTIC ADMINISTRATION RESEARCH TRIANGLE INSTITUTE (US) 1982-04-13 US disclosed
US-4324794-A PREVENTION OF EPIDEMICS BY PROPHYLACTIC ADMINISTRATION RESEARCH TRIANGLE INSTITUTE (US) 1982-04-13 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-20070112048-A1 Broad Spectrum Antibacterial Compounds MPO, CAT, LPO F2 2171/4885CYP1A2 1275/4885CYP3A4 2834/4885
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 F2 578/4885CYP1A2 1708/4885CYP3A4 2220/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 F2 521/4885CYP1A2 1858/4885CYP3A4 3573/4885

“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.