SCHEMBL2800145

SCHEMBL2800145

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.35
UBE2M P61081 6/20 0.35
DCUN1D1 Q96GG9 6/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 2/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MAPK8 P45983 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
SCHEMBL2799418 0.93 THRB (0.38) LMNAUBE2MDCUN1D1TP53THRB
SCHEMBL5040128 0.86 UBE2M (0.43) LMNAUBE2MDCUN1D1TP53THRB
SCHEMBL2799822 0.85 THRB (0.38) LMNAUBE2MDCUN1D1TP53THRB
SCHEMBL2795743 0.84 UBE2M (0.39) LMNAUBE2MDCUN1D1THRBKMT2A
SCHEMBL2796269 0.84 KCNH2 (0.47) LMNAUBE2MDCUN1D1THRBKCNH2
SCHEMBL2800189 0.83 UBE2M (0.38) LMNAUBE2MDCUN1D1TP53THRB
SCHEMBL2797191 0.83 UBE2M (0.38) LMNAUBE2MDCUN1D1TP53THRB
SCHEMBL2797887 0.83 KCNH2 (0.36) LMNAUBE2MDCUN1D1TP53THRB
SCHEMBL2800311 0.82 UBE2M (0.40) LMNAUBE2MDCUN1D1TP53THRB
SCHEMBL2798079 0.82 SHH (0.36) LMNAUBE2MDCUN1D1KCNH2KMT2A

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 LMNA 4185/4885UBE2M 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.