SCHEMBL21657775

SCHEMBL21657775

NCCOc1cccc2c1C(=O)c1c(OCCN)cc(N)cc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.48
TTR P02766 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
HTR1B P28222 1/20 0.39
ELANE P08246 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCC4 O15439 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CHRM2 P08172 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL15427129 0.88 KCNA3 (0.47) KCNA3TTRKDM4ETP53MAPK1
SCHEMBL15427134 0.86 ELANE (0.54) KCNA3TTRELANE
SCHEMBL15427118 0.86 TTR (0.55) KCNA3TTRKDM4ETP53MAPK1
SCHEMBL15427085 0.84 KCNA3 (0.47) KCNA3TTRTP53ELANEMAPT
SCHEMBL30760689 0.84 SLC37A4 (0.51) KCNA3TTRKDM4ETP53MAPK1
SCHEMBL30760699 0.83 KCNA3 (0.46) KCNA3TTRKDM4ETP53MAPK1
SCHEMBL30760690 0.82 KCNA3 (0.45) KCNA3TTRKDM4ETP53MAPK1
SCHEMBL30760709 0.82 KCNA3 (0.48) KCNA3TTRKDM4ETP53MAPK1
SCHEMBL15427191 0.82 KCNA3 (0.42) KCNA3TTRKDM4ETP53MAPK1
SCHEMBL16919801 0.81 KCNA3 (0.46) KCNA3TTRMAPK1ELANEMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544090-B2 Anthraquinone analogs and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-01-28 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-10544090-B2 Anthraquinone analogs and methods of making and using thereof PCNA, KRAS, RECQL KCNA3 3827/4885TTR 4284/4885KDM4E 1197/4885

“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.