SCHEMBL2799418

SCHEMBL2799418

CC(C)(C)C1CC(N(Cc2ccc3c(c2)OCCO3)C(=O)O)CCN1CCn1c(=O)cc(Cl)c2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
UBE2M P61081 11/20 0.36
DCUN1D1 Q96GG9 11/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 4/20 0.35
HTR2A P28223 3/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL2800145 0.93 LMNA (0.35) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL2799822 0.92 THRB (0.38) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL5040337 0.87 THRB (0.45) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL2796082 0.86 KCNH2 (0.39) THRBUBE2MDCUN1D1HTR2AKCNH2
SCHEMBL2795743 0.83 UBE2M (0.39) THRBUBE2MDCUN1D1LMNA
SCHEMBL2796269 0.83 KCNH2 (0.47) THRBUBE2MDCUN1D1LMNAHTR2A
SCHEMBL2800239 0.82 LMNA (0.40) UBE2MDCUN1D1LMNA
SCHEMBL2797191 0.82 UBE2M (0.38) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL2800189 0.82 UBE2M (0.38) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL2797887 0.82 KCNH2 (0.36) THRBUBE2MDCUN1D1TP53LMNA

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 THRB 2956/4885UBE2M 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.