SCHEMBL586111

SCHEMBL586111

COc1ccc2ncc(=O)n(C[C@@H](O)C3CCC(N)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.44
KCNQ1 P51787 1/20 0.42
CACNA1C Q13936 1/20 0.42
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL586110 1.00 KCNH2 (0.44) KCNH2KCNQ1CACNA1CHTR1ADRD2
SCHEMBL21878347 0.86 KCNH2 (0.42) KCNH2KCNQ1CACNA1CHTR1ADRD2
SCHEMBL21878346 0.86 KCNH2 (0.42) KCNH2KCNQ1CACNA1CHTR1ADRD2
SCHEMBL1423300 0.84 SMYD3 (0.41) KCNH2HTR2A
SCHEMBL1423299 0.84 SMYD3 (0.41) KCNH2HTR2A
SCHEMBL2798055 0.83 KCNH2 (0.47) KCNH2KCNQ1CACNA1CHTR1ADRD2
SCHEMBL603590 0.81 PIK3CA (0.46) KCNH2KCNQ1CACNA1C
SCHEMBL603591 0.81 PIK3CA (0.46) KCNH2KCNQ1CACNA1C
SCHEMBL15850919 0.78 KCNA5 (0.43) KCNH2HTR1ADRD2HTR2A
SCHEMBL707415 0.78 KCNH2 (0.61) KCNH2KCNQ1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417141-B1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2013-10-16 EP disclosed
US-8415375-B2 2-hydroxyethyl-1H-quinolin-2-one derivatives and their azaisosteric analogues with antibacterial activity ACTELION PHARMACEUTICALS LTD. (CH) 2013-04-09 US disclosed
US-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-16 US disclosed
EP-2417141-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2012-02-15 EP disclosed
WO-2010116337-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2010-10-14 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-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY NQO2, AZI2, Q6ZSR9 KCNH2 192/4885KCNQ1 44/4885CACNA1C 1679/4885

“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.