SCHEMBL2799783

SCHEMBL2799783

Cc1cc(=O)n(CCN2CCC(N(Cc3ccc4c(c3)OCCO4)C(=O)O)CC2)c2cc(C(=O)N(C)C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
LMNA P02545 6/20 0.40
THRB P10828 2/20 0.40
TP53 P04637 2/20 0.39
UBE2M P61081 7/20 0.39
DCUN1D1 Q96GG9 7/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 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
SCHEMBL2792994 0.92 KCNH2 (0.44) KCNH2LMNATHRBTP53UBE2M
SCHEMBL5040143 0.90 KCNH2 (0.45) KCNH2LMNATHRBTP53UBE2M
SCHEMBL13235008 0.90 KCNH2 (0.41) KCNH2LMNATHRBTP53UBE2M
SCHEMBL2798883 0.89 KCNH2 (0.45) KCNH2LMNATHRBTP53UBE2M
SCHEMBL5040901 0.89 THRB (0.46) KCNH2LMNATHRBTP53UBE2M
SCHEMBL2796983 0.88 KCNH2 (0.45) KCNH2LMNATHRBTP53UBE2M
SCHEMBL5040333 0.87 KCNH2 (0.58) KCNH2LMNATHRBTP53UBE2M
SCHEMBL2797193 0.87 KCNH2 (0.44) KCNH2LMNATHRBTP53UBE2M
SCHEMBL13235009 0.86 KCNH2 (0.55) KCNH2MEN1KMT2A
SCHEMBL2797889 0.86 KCNH2 (0.43) KCNH2LMNATHRBTP53UBE2M

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 6 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-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 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
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US 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 (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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 KCNH2 578/4885LMNA 4185/4885THRB 2956/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885LMNA 2947/4885THRB 4509/4885

“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.