SCHEMBL2797675

SCHEMBL2797675

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.49
MCHR1 Q99705 2/20 0.42
UBE2M P61081 6/20 0.40
DCUN1D1 Q96GG9 6/20 0.40
LMNA P02545 5/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 2/20 0.39
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
SCHEMBL5040333 0.92 KCNH2 (0.58) KCNH2MCHR1UBE2MDCUN1D1LMNA
SCHEMBL12000122 0.91 KCNH2 (0.45) KCNH2MCHR1UBE2MDCUN1D1LMNA
SCHEMBL2797923 0.91 KCNH2 (0.50) KCNH2UBE2MDCUN1D1LMNATP53
SCHEMBL5040901 0.89 THRB (0.46) KCNH2MCHR1UBE2MDCUN1D1LMNA
SCHEMBL2796983 0.87 KCNH2 (0.45) KCNH2UBE2MDCUN1D1LMNATP53
SCHEMBL2798883 0.87 KCNH2 (0.45) KCNH2UBE2MDCUN1D1LMNATP53
SCHEMBL2793478 0.86 KCNH2 (0.51) KCNH2MCHR1UBE2MDCUN1D1LMNA
SCHEMBL2792994 0.86 KCNH2 (0.44) KCNH2UBE2MDCUN1D1LMNATP53
SCHEMBL2797193 0.86 KCNH2 (0.44) KCNH2UBE2MDCUN1D1LMNATP53
SCHEMBL2799783 0.85 KCNH2 (0.44) KCNH2UBE2MDCUN1D1LMNATP53

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 578/4885MCHR1 2848/4885UBE2M 2433/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885MCHR1 4487/4885UBE2M 826/4885

“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.