SCHEMBL2795288

SCHEMBL2795288

CCNC(=O)c1cc(=O)n(CCN2CCC(N(Cc3ccc4c(c3)OCCO4)C(=O)OC(C)(C)C)CC2)c2cc(OC)ccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.43
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
UBE2M P61081 4/20 0.38
DCUN1D1 Q96GG9 4/20 0.38
MCHR1 Q99705 3/20 0.37
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL12002314 0.94 KCNH2 (0.43) KCNH2TP53THRBUBE2MDCUN1D1
SCHEMBL2799350 0.94 KCNH2 (0.43) KCNH2TP53THRBUBE2MDCUN1D1
SCHEMBL2796965 0.94 KCNH2 (0.44) KCNH2TP53THRBUBE2MDCUN1D1
SCHEMBL2798529 0.92 KCNH2 (0.45) KCNH2MCHR1HTR1ASLC6A4CNR1
SCHEMBL12000084 0.92 UBE2M (0.38) KCNH2TP53THRBUBE2MDCUN1D1
SCHEMBL2798556 0.92 KCNH2 (0.45) KCNH2UBE2MDCUN1D1MCHR1HTR1A
SCHEMBL5044554 0.91 KCNH2 (0.47) KCNH2MEN1GAAKMT2AUBE2M
SCHEMBL2797521 0.91 KCNH2 (0.44) KCNH2MEN1GAAKMT2AUBE2M
SCHEMBL12002166 0.91 CNR2 (0.47) KCNH2MCHR1CNR1CNR2
SCHEMBL2794566 0.91 KCNH2 (0.44) KCNH2UBE2MDCUN1D1MCHR1HTR1A

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 5 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-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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 (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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 KCNH2 578/4885MEN1 1971/4885GAA 4764/4885

“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.