SCHEMBL2796259

SCHEMBL2796259

CC(C)(C)C1CC(N(Cc2ccc3c(c2)OCCO3)C(=O)O)CCN1CCn1c(=O)cnc2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.39
UBE2M P61081 4/20 0.36
DCUN1D1 Q96GG9 4/20 0.36
SHH Q15465 1/20 0.33
SMO Q99835 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.32
KCNQ1 P51787 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL2796082 0.92 KCNH2 (0.39) KCNH2UBE2MDCUN1D1SHHSMO
SCHEMBL2796662 0.91 KCNH2 (0.49) KCNH2SHHSMOKCNQ1CACNA1C
SCHEMBL2797333 0.91 UBE2M (0.38) KCNH2UBE2MDCUN1D1SHHSMO
SCHEMBL5046662 0.87 KCNH2 (0.47) KCNH2UBE2MDCUN1D1TP53LMNA
SCHEMBL2800189 0.82 UBE2M (0.38) UBE2MDCUN1D1SHHSMOTP53
SCHEMBL2800311 0.81 UBE2M (0.40) UBE2MDCUN1D1TP53LMNA
SCHEMBL2796258 0.81 KCNH2 (0.45) KCNH2UBE2MDCUN1D1TP53KCNQ1
SCHEMBL2796900 0.81 UBE2M (0.36) KCNH2UBE2MDCUN1D1TP53LMNA
SCHEMBL2800492 0.80 KCNH2 (0.46) KCNH2UBE2MDCUN1D1SHHSMO
SCHEMBL4775988 0.80 KCNH2 (0.51) KCNH2

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 2 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-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 578/4885UBE2M 2433/4885DCUN1D1 1317/4885

“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.