SCHEMBL12002115

SCHEMBL12002115

BN(CC(=O)Nc1ccccn1)C1CCN(CCn2c(=O)cc(C)c3ccc(OC)cc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL5046803 0.91 KCNH2 (0.49) KCNH2ALDH1A1HPGDMEN1KMT2A
SCHEMBL2797070 0.87 KCNH2 (0.45) KCNH2ALDH1A1HPGDMEN1KMT2A
SCHEMBL2796976 0.86 KCNH2 (0.57) KCNH2ALDH1A1HPGDMEN1KMT2A
SCHEMBL2797074 0.82 KCNH2 (0.47) KCNH2MEN1KMT2A
SCHEMBL2796981 0.80 KCNH2 (0.48) KCNH2HPGDTP53
SCHEMBL12002224 0.77 KCNH2 (0.48) KCNH2ALDH1A1
SCHEMBL11968772 0.74 KCNH2 (0.61) KCNH2ALDH1A1
SCHEMBL12002102 0.73 KCNH2 (0.62) KCNH2HPGDTP53
SCHEMBL2797721 0.72 OPRM1 (0.49) KCNH2ALDH1A1MEN1KMT2A
SCHEMBL4782432 0.72 KCNH2 (0.58) KCNH2ALDH1A1HPGDTP53HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 578/4885ALDH1A1 2925/4885HPGD 3615/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885ALDH1A1 3142/4885HPGD 621/4885

“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.