SCHEMBL13264451

SCHEMBL13264451

COc1ccc2ccc(=O)n(CCCC3(C=O)CCN(CCCc4ccccc4)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
KMT2A Q03164 1/20 0.41
DRD2 P14416 2/20 0.41
OPRM1 P35372 2/20 0.40

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
SCHEMBL13264611 0.88 ALDH1A1 (0.43) KDM4EALDH1A1MMP1MMP9MMP13
SCHEMBL10285869 0.87 HTR1A (0.39) ALDH1A1MAPTKMT2ADRD2OPRM1
SCHEMBL2798009 0.87 SIGMAR1 (0.46) SIGMAR1KDM4EALDH1A1MAPTMMP1
SCHEMBL12002165 0.86 KMT2A (0.38) ALDH1A1KMT2ADRD2
SCHEMBL10285212 0.84 GAA (0.44) KDM4EALDH1A1KMT2A
SCHEMBL13264345 0.84 KCNH2 (0.39) MAPTKMT2A
SCHEMBL2793851 0.83 MEN1 (0.56) ALDH1A1MAPTKMT2AOPRM1
SCHEMBL10285202 0.80 KMT2A (0.38) MAPTKMT2A
SCHEMBL12002303 0.80 KCNH2 (0.37) DRD2
SCHEMBL10285205 0.79 KCNH2 (0.35) KMT2ADRD2

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 3 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
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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 SIGMAR1 56/4885KDM4E 2360/4885ALDH1A1 2925/4885

“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.