SCHEMBL7079970

SCHEMBL7079970

N=C(N)NC(=O)c1ccc(-n2ccnc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADH5 P11766 1/20 0.46
ABL1 P00519 2/20 0.44
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
CD38 P28907 5/20 0.40
SLC9A1 P19634 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37

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 SCHEMBL7082587 0.99 CYP1A2 (0.46) CYP1A2ALDH1A1CYP2C19LMNAMEN1
SCHEMBL3972148 0.91 CYP1A2 (0.49) CYP1A2ALDH1A1CYP2C19LMNAMEN1
SCHEMBL3974651 0.86 ALDH1A1 (0.44) CYP1A2ALDH1A1CYP2C19LMNAMEN1
Hydrochloric Acid SCHEMBL3971651 0.85 ALDH1A1 (0.43) CYP1A2ALDH1A1CYP2C19LMNAMEN1
SCHEMBL3972141 0.82 CYP3A4 (0.47) CYP1A2ALDH1A1CYP2C19LMNAMEN1
SCHEMBL3974655 0.81 SLC9A1 (0.44) CYP1A2ALDH1A1CYP2C19LMNAMEN1
SCHEMBL3531980 0.80 ADH5 (0.66) CYP1A2ALDH1A1CYP2C19LMNAMEN1
Hydrochloric Acid SCHEMBL6837522 0.80 SLC9A1 (0.44) CYP1A2ALDH1A1CYP2C19LMNAMEN1
SCHEMBL1764050 0.76 SLC9A1 (0.73) CYP2C19CYP3A4CYP2D6CYP2C9SLC9A1
SCHEMBL1763741 0.74 SLC9A1 (0.49) CYP2C19CYP2D6MAPTCYP2C9ADH5

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 6 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
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
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
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

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 CYP1A2 286/4885ALDH1A1 66/4885CYP2C19 181/4885
US-20010049446-A1 Heterocyclically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics, and medicaments comprising them TNNI3, HBG1, TNNT2 CYP1A2 286/4885ALDH1A1 66/4885CYP2C19 181/4885
US-20030139607-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTICS, AND MEDICAMENTS COMPRISING THEM TNNI3, HBG1, TNNT2 CYP1A2 286/4885ALDH1A1 66/4885CYP2C19 181/4885

“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.