SCHEMBL5040949

SCHEMBL5040949

COc1ccc2c(C(=O)NC3CC3)cc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)O)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.49
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
MCHR1 Q99705 10/20 0.45
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL5042261 0.93 KCNH2 (0.48) KCNH2CNR1CNR2MCHR1LMNA
SCHEMBL5040315 0.92 KCNH2 (0.46) KCNH2CNR1CNR2MCHR1LMNA
SCHEMBL2798220 0.92 KCNH2 (0.46) KCNH2CNR1CNR2MCHR1LMNA
SCHEMBL5044554 0.92 KCNH2 (0.47) KCNH2CNR1CNR2MCHR1LMNA
SCHEMBL2798529 0.91 KCNH2 (0.45) KCNH2CNR1CNR2MCHR1HTR1A
SCHEMBL5046804 0.91 KCNH2 (0.46) KCNH2LMNA
SCHEMBL5039995 0.90 KCNH2 (0.48) KCNH2CNR1CNR2MCHR1LMNA
SCHEMBL5036618 0.90 KCNH2 (0.47) KCNH2CNR1CNR2MCHR1LMNA
SCHEMBL12002166 0.89 CNR2 (0.47) KCNH2CNR1CNR2MCHR1
SCHEMBL13264609 0.88 CNR2 (0.51) KCNH2CNR1CNR2MCHR1

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-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885CNR1 2005/4885CNR2 2994/4885

“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.