SCHEMBL3971144

SCHEMBL3971144

N=C(N)NC(=O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
TAS1R2 Q8TE23 2/20 0.51
KCNQ3 O43525 2/20 0.49
KCNQ2 O43526 2/20 0.49
KCNE1 P15382 2/20 0.49
KCNQ1 P51787 2/20 0.49
VNN1 O95497 7/20 0.44
HDAC8 Q9BY41 2/20 0.44
KIF11 P52732 1/20 0.40
GRM4 Q14833 1/20 0.40
NR3C2 P08235 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PLAU P00749 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 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
Hydrochloric Acid SCHEMBL8506547 0.98 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL3976727 0.88 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL7948494 0.85 P4HB (0.40) TAS1R3TAS1R1TAS1R2HDAC8HDAC1
Hydrochloric Acid SCHEMBL8506843 0.84 MAPT (0.51) HDAC8HDAC1HDAC6PLAUCYP1A2
SCHEMBL7083111 0.81 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL25216423 0.81 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL13407792 0.81 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL8503974 0.79 S1PR1 (0.42) TAS1R3TAS1R1TAS1R2HDAC8HDAC1
SCHEMBL4875325 0.79 PRSS1 (0.42) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL30641942 0.79 VNN1 (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612723-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AG (DE) 1997-08-27 EP claimed
EP-0921117-B2 Acylguanidines SANOFI AVENTIS DEUTSCHLAND (DE) 2009-01-07 EP disclosed
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them HOECHST AKTIENGESELLSCHAFT 2004-03-04 US disclosed
EP-0921117-B1 Acylguanidines AVENTIS PHARMA GMBH (DE) 2003-12-10 EP disclosed
US-6632840-B1 Inhibiting the Na+/H+ exchanger, treating at least one of arrhythmias and shock HOECHST AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
US-6617344-B2 Suitable as antiarrhythmic pharmaceuticals having a cardioprotective component for infarct prophylaxis and infarct treatment, and also for the treatment of angina pectoris. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-09 US disclosed
US-20030139607-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTICS, AND MEDICAMENTS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH 2003-07-24 US disclosed
CN-1373757-A Heterocyclically substd, benzoylguanidine, method for production thereof, use thereof as medicament or means of diagnosis and medicaments contg. same AVENTIS PHARMA GMBH (DE) 2002-10-09 CN disclosed
US-6436999-B1 REACTING GUANIDINE AND CARBOCYCLIC ACIDS, TO FORM COMPOUNDS LIKE BIS(3-METHYLSULFONYL-4-I-PROPYLBENZOYL)GUANIDINE, USED FOR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS AND AS PRODRUGS FOR SODIUM CHANNEL MODULATORS TO CONTROL BLOOD PRESSURE HOECHST AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
EP-1226124-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINE, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS A MEDICAMENT OR MEANS OF DIAGNOSIS AND A MEDICAMENT CONTAINING THE SAME Aventis Pharma Deutschland GmbH (DE) 2002-07-31 EP disclosed
WO-2001030761-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINE, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS A MEDICAMENT OR MEANS OF DIAGNOSIS AND A MEDICAMENT CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-03 WO disclosed
EP-0640587-B1 Diacyl substituted guanidins, process for their preparation, their use as medicament or diagnostic reagent and medicament containing them HOECHST AG (DE) 1999-12-29 EP disclosed
EP-0921117-A2 Acylguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
US-5866610-A Substituted benzoylguanidines, process for their preparation, their use as a pharmaceutical as inhibitors of the cellular NA+/H+ exchange or as a diagnostic, and pharmaceutical containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
US-5665739-A CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-09 US disclosed
EP-0612723-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AG (DE) 1997-08-27 EP disclosed
EP-0602523-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AG (DE) 1996-12-11 EP disclosed
EP-0640587-A1 Diacyl substituted guanidins, process for their preparation, their use as medicament or diagnostic reagent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP disclosed
EP-0612723-A1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-31 EP disclosed
EP-0602523-A1 Substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 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 (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-20030139607-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTICS, AND MEDICAMENTS COMPRISING THEM TNNI3, HBG1, TNNT2 TAS1R3 4127/4885TAS1R1 3012/4885TAS1R2 4057/4885
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them ADRA1B, ADRA1A, HYOU1 TAS1R3 3957/4885TAS1R1 2840/4885TAS1R2 3577/4885

“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.