SCHEMBL2800083

SCHEMBL2800083

CC(C)(C)C1CC(N(Cc2ccc3c(c2)OCCO3)C(=O)O)CCN1CCn1c(=O)ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
UBE2M P61081 6/20 0.34
DCUN1D1 Q96GG9 6/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MCHR1 Q99705 1/20 0.32
LMNA P02545 3/20 0.32
CCR2 P41597 1/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
ALOX12 P18054 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2798160 0.89 UBE2M (0.35) UBE2MDCUN1D1LMNATSHRALDH1A1
SCHEMBL2800311 0.88 UBE2M (0.40) GAAUBE2MDCUN1D1LMNATSHR
SCHEMBL2796113 0.87 UBE2M (0.40) GAAMAPTUBE2MDCUN1D1KMT2A
SCHEMBL2796900 0.86 UBE2M (0.36) MAPTUBE2MDCUN1D1LMNATSHR
SCHEMBL2798601 0.86 UBE2M (0.36) MAPTUBE2MDCUN1D1LMNACCR2
SCHEMBL2800492 0.84 KCNH2 (0.46) UBE2MDCUN1D1MEN1KMT2AMCHR1
SCHEMBL2800601 0.83 LMNA (0.40) GAAUBE2MDCUN1D1LMNATSHR
SCHEMBL2800082 0.81 UBE2M (0.37) UBE2MDCUN1D1MCHR1LMNA
SCHEMBL2800189 0.81 UBE2M (0.38) GAAUBE2MDCUN1D1LMNATSHR
SCHEMBL2797191 0.81 UBE2M (0.38) UBE2MDCUN1D1LMNATSHRALDH1A1

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 GAA 4764/4885MAPT 4858/4885UBE2M 2433/4885

“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.