SCHEMBL5571871

SCHEMBL5571871

Cc1c(N2CC[C@@H](O)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.44
KCNH2 Q12809 8/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.39
MYC P01106 2/20 0.35
WDR5 P61964 2/20 0.35
POLB P06746 2/20 0.35
OPRM1 P35372 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRD1 P41143 1/20 0.35
PRKD3 O94806 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CLK2 P49760 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8569999 1.00 SCN5A (0.44) SCN5AKCNH2ALDH1A1KDM4ELMNA
SCHEMBL5571872 1.00 SCN5A (0.44) SCN5AKCNH2ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL7500623 0.99 SCN5A (0.43) SCN5AKCNH2ALDH1A1KDM4ELMNA
SCHEMBL8566850 0.94 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1KDM4ELMNA
SCHEMBL8562588 0.94 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1KDM4ELMNA
SCHEMBL7499390 0.92 SCN5A (0.45) SCN5AKCNH2ALDH1A1LMNAMYC
SCHEMBL8569368 0.89 SCN5A (0.43) SCN5AKCNH2ALDH1A1POLBOPRM1
Abt-719 SCHEMBL8569278 0.89 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBOPRM1
Abt-719 SCHEMBL1290350 0.89 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBOPRM1
Abt-719 SCHEMBL1290190 0.89 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US claimed
US-7229996-B2 Rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2007-06-12 US disclosed
US-20060019985-A1 Rifamycin derivatives CUMBRE INC. (US) 2006-01-26 US disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 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 (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-20060019985-A1 Rifamycin derivatives RIF1, NQO1, MRM1 SCN5A 2077/4885KCNH2 2117/4885ALDH1A1 385/4885

“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.