SCHEMBL7108784

SCHEMBL7108784

CCN(CC)CCOc1ccc2c(C(=O)NC(=N)N)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
CHEK1 O14757 3/20 0.45
KDR P35968 2/20 0.45
MAP4K4 O95819 1/20 0.45
LCK P06239 1/20 0.45
CSF1R P07333 1/20 0.45
PIM1 P11309 1/20 0.45
PHKG2 P15735 1/20 0.45
MARK3 P27448 1/20 0.45
FLT3 P36888 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
ITK Q08881 1/20 0.45
MAP4K2 Q12851 1/20 0.45
DYRK1A Q13627 1/20 0.45
MARK2 Q7KZI7 1/20 0.45
PIM3 Q86V86 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
AURKB Q96GD4 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45

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
SCHEMBL7114780 0.82 MAOB (0.51) MAOBCHEK1KDRMAP4K4LCK
SCHEMBL7114706 0.82 MAOB (0.53) MAOBKMT2AMAPTCHRNA7POLB
SCHEMBL8185321 0.81 MAOB (0.47) MAOBKDRKMT2AMAPTCHRNA7
Hydrochloric Acid SCHEMBL8092504 0.81 MAOB (0.46) MAOBKDRKMT2AMAPTCHRNA7
SCHEMBL7108672 0.80 MTNR1A (0.58) KDRLCKAURKBPOLB
Hydrochloric Acid SCHEMBL7107874 0.79 MTNR1A (0.56) KDRLCKAURKBPOLB
SCHEMBL15121479 0.72 PLAU (0.52) GAAKDM4E
SCHEMBL27396512 0.72 MAPT (0.49) MAOBKMT2AMAPTCHRNA7KDM4E
SCHEMBL3100592 0.71 MMP3 (0.62) KMT2AMEN1MAPTPOLBGAA
SCHEMBL30071626 0.71 MMP3 (0.62) KMT2AMEN1MAPTPOLBGAA

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-6600072-B2 Cardiovascular disorders; antiischemic agents; antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-29 US claimed
US-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them BRENDEL JOACHIM (DE) 2003-01-16 US claimed
US-6600072-B2 Cardiovascular disorders; antiischemic agents; antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-29 US disclosed
US-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them BRENDEL JOACHIM (DE) 2003-01-16 US disclosed
EP-0810205-B1 Substituted 1-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AG (DE) 2001-03-28 EP disclosed
EP-0810205-A1 Substituted 1-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-03 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 (1 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-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them TNNI3, TNNT2, SCN1B MAOB 592/4885CHEK1 4667/4885KDR 3092/4885

“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.