SCHEMBL7083111

SCHEMBL7083111

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
TAS1R2 Q8TE23 2/20 0.51
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
VNN1 O95497 6/20 0.42
AR P10275 1/20 0.39
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
GRM4 Q14833 1/20 0.38
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 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
SCHEMBL7799908 0.86 P4HB (0.40) TAS1R3TAS1R1TAS1R2ALDH1A1PLA2G1B
Hydrochloric Acid SCHEMBL7801204 0.85 P4HB (0.40) TAS1R3TAS1R1TAS1R2ALDH1A1PLA2G1B
SCHEMBL3971144 0.81 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL13407792 0.81 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL8506547 0.80 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL3976727 0.78 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL25216423 0.77 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL30641942 0.75 VNN1 (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL273364 0.75 VNN1 (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL13701819 0.75 TAS1R3 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20020099222-A1 Heterocyclically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics, and medicaments comprising them WEICHERT ANDREAS (DE) 2002-07-25 US disclosed
US-20010049446-A1 Heterocyclically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics, and medicaments comprising them WEICHERT ANDREAS (DE) 2001-12-06 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 (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-20020099222-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-20010049446-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-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

“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.