SCHEMBL6691671

SCHEMBL6691671

O=C1N[C@H](CCCCc2cc(CC3CCOCC3)cc3c(O)c(C(=O)NCc4ccc(Cl)cc4)nnc23)CO1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.35
SCN5A Q14524 3/20 0.35
KCNH2 Q12809 3/20 0.35
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
MAPK1 P28482 1/20 0.32
POLA1 P09884 1/20 0.31
CACNA1G O43497 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL6692492 0.88 POLA1 (0.43) KCNH2POLA1
SCHEMBL6672693 0.86 MAPK1 (0.38) KCNH2MAPK1POLA1KMT2AGAA
SCHEMBL6668056 0.85 MAPK1 (0.39) KCNH2MAPK1POLA1KMT2AGAA
SCHEMBL6694192 0.85 CACNA1C (0.33) CACNA1CSCN5AKCNH2MAPK1POLA1
SCHEMBL6690723 0.84 POLA1 (0.37) CACNA1CSCN5AKCNH2HTR1AHTR1D
SCHEMBL6667440 0.83 MAPK1 (0.35) KCNH2MAPK1POLA1KMT2AGAA
SCHEMBL6671395 0.82 ALDH1A1 (0.44) MAPK1CACNA1GMEN1KMT2A
SCHEMBL6669978 0.79 MAPK1 (0.38) KCNH2MAPK1KMT2AGAAEGLN1
SCHEMBL6672226 0.79 MAPK1 (0.36) MAPK1MEN1KMT2A
SCHEMBL7081528 0.78 CACNA1C (0.35) CACNA1CSCN5AKCNH2HTR1AHTR1D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US claimed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP claimed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 US claimed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 WO claimed
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US disclosed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 US disclosed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 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 (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-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents HAVCR2, ZC3HAV1, HCFC1 CACNA1C 1062/4885SCN5A 2566/4885KCNH2 1186/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 CACNA1C 3984/4885SCN5A 4332/4885KCNH2 4046/4885

“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.