SCHEMBL7082612

SCHEMBL7082612

COC(=O)c1cc(I)c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.46
▸ CFTR P13569 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ SOS1 Q07889 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ NR4A2 P43354 1/20 0.39

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
SCHEMBL22836884 0.86 CFTR (0.45) GAACFTRMAPTSMN1; SMN2HPGD
SCHEMBL3872035 0.85 CFTR (0.50) GAACFTRMAPTHPGDLMNA
SCHEMBL1110997 0.85 GAA (0.57) GAAMAPTSMN1; SMN2HPGDLMNA
SCHEMBL11922634 0.84 CFTR (0.49) GAACFTRMAPTHPGDLMNA
SCHEMBL2849661 0.84 CFTR (0.45) GAACFTRMAPTSMN1; SMN2HPGD
SCHEMBL6739150 0.82 LMNA (0.45) GAAMAPTSMN1; SMN2HPGDLMNA
Water SCHEMBL27598988 0.81 GAA (0.45) GAAMAPTSMN1; SMN2HPGDLMNA
SCHEMBL15543856 0.81 CFTR (0.46) GAACFTRMAPTSMN1; SMN2HPGD
SCHEMBL17239556 0.81 CFTR (0.43) GAACFTRMAPTSMN1; SMN2HPGD
SCHEMBL7948445 0.81 NR4A2 (0.46) GAACFTRMAPTSMN1; SMN2LMNA

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
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-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
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 — — 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 GAA 763/4885CFTR 3411/4885MAPT 4865/4885
US-20010049446-A1 Heterocyclically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics, and medicaments comprising them TNNI3, HBG1, TNNT2 GAA 763/4885CFTR 3411/4885MAPT 4865/4885
US-20030139607-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTICS, AND MEDICAMENTS COMPRISING THEM TNNI3, HBG1, TNNT2 GAA 763/4885CFTR 3411/4885MAPT 4865/4885

“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.

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