SCHEMBL3351346

SCHEMBL3351346

CO[C@@H]1CN(CCn2c(=O)ccc3ccc(C#N)cc32)CC[C@H]1NCc1ccc2c(n1)NC(=O)CO2

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.68
KCNQ1 P51787 1/20 0.53
CACNA1C Q13936 1/20 0.53
TOP2A P11388 1/20 0.50

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
SCHEMBL3355417 1.00 KCNH2 (0.68) KCNH2KCNQ1CACNA1CTOP2A
SCHEMBL3354175 1.00 KCNH2 (0.68) KCNH2KCNQ1CACNA1CTOP2A
SCHEMBL3357783 0.91 KCNH2 (0.65) KCNH2KCNQ1CACNA1C
SCHEMBL3354561 0.91 KCNH2 (0.65) KCNH2KCNQ1CACNA1C
SCHEMBL3358901 0.90 KCNH2 (0.57) KCNH2TOP2A
SCHEMBL3357772 0.90 KCNH2 (0.57) KCNH2TOP2A
SCHEMBL3354048 0.90 KCNH2 (0.68) KCNH2TOP2A
SCHEMBL3354934 0.90 KCNH2 (0.68) KCNH2TOP2A
SCHEMBL3359342 0.90 KCNH2 (0.68) KCNH2TOP2A
SCHEMBL707728 0.86 KCNH2 (0.72) KCNH2KCNQ1CACNA1CTOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US claimed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 US claimed
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US disclosed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 KCNH2 466/4885KCNQ1 155/4885CACNA1C 2931/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 KCNH2 466/4885KCNQ1 155/4885CACNA1C 2931/4885

“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.