SCHEMBL2800311

SCHEMBL2800311

CC(C)(C)C1CC(N(Cc2ccc3c(c2)OCCO3)C(=O)O)CCN1CCn1c(=O)ccc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 7/20 0.40
DCUN1D1 Q96GG9 7/20 0.40
LMNA P02545 7/20 0.38
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
CHRM5 P08912 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
SCHEMBL2796900 0.92 UBE2M (0.36) UBE2MDCUN1D1LMNATSHRTHRB
SCHEMBL2798160 0.90 UBE2M (0.35) UBE2MDCUN1D1LMNATSHRTHRB
SCHEMBL2800601 0.90 LMNA (0.40) UBE2MDCUN1D1LMNATSHRTHRB
SCHEMBL2800492 0.90 KCNH2 (0.46) UBE2MDCUN1D1LMNATSHRALDH1A1
SCHEMBL2797191 0.88 UBE2M (0.38) UBE2MDCUN1D1LMNATSHRTHRB
SCHEMBL2800189 0.88 UBE2M (0.38) UBE2MDCUN1D1LMNATSHRTHRB
SCHEMBL2795743 0.88 UBE2M (0.39) UBE2MDCUN1D1LMNATSHRTHRB
SCHEMBL2800083 0.88 GAA (0.34) UBE2MDCUN1D1LMNATSHRALDH1A1
SCHEMBL2797333 0.87 UBE2M (0.38) UBE2MDCUN1D1LMNATSHRTHRB
SCHEMBL2796346 0.87 LMNA (0.40) UBE2MDCUN1D1LMNATSHRTHRB

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 UBE2M 2433/4885DCUN1D1 1317/4885LMNA 4185/4885

“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.