SCHEMBL3354965

SCHEMBL3354965

CO[C@@H]1CN(CCn2c(=O)ccc3ccc(Br)cc32)CC[C@@H]1NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.39
HTR4 Q13639 6/20 0.39
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3354971 1.00 KCNH2 (0.39) KCNH2HTR4USP2CYP3A4CYP2D6
SCHEMBL3355481 0.86 KCNH2 (0.52) KCNH2
SCHEMBL3355520 0.86 KCNH2 (0.52) KCNH2
SCHEMBL3355472 0.86 KCNH2 (0.52) KCNH2
SCHEMBL3355523 0.86 KCNH2 (0.52) KCNH2
SCHEMBL706100 0.81 KCNH2 (0.45) KCNH2
SCHEMBL3354184 0.76 KCNH2 (0.65) KCNH2
SCHEMBL3350810 0.76 KCNH2 (0.65) KCNH2
SCHEMBL3350819 0.76 KCNH2 (0.65) KCNH2
SCHEMBL3354193 0.76 KCNH2 (0.65) KCNH2

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 2 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 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 466/4885HTR4 3951/4885USP2 3211/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 KCNH2 466/4885HTR4 3951/4885USP2 3211/4885

“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.