SCHEMBL4903360

SCHEMBL4903360

CN(C)CCNc1ccnc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 4/20 0.55
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR1A P08908 4/20 0.49
ADRA1D P25100 4/20 0.49
ADRA1A P35348 4/20 0.49
ADRA1B P35368 4/20 0.49
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CCR1 P32246 1/20 0.44
EGFR P00533 1/20 0.42

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
SCHEMBL2990471 0.93 FERMT2 (0.65) FERMT2CCNCCDK8KDM4ELMNA
SCHEMBL15483266 0.93 CCNC (0.54) FERMT2CCNCCDK8KDM4ELMNA
SCHEMBL4910296 0.90 CCNC (0.66) FERMT2CCNCCDK8KDM4ELMNA
SCHEMBL2999439 0.81 CCNC (0.52) FERMT2CCNCCDK8HTR1AADRA1D
SCHEMBL4281985 0.78 FERMT2 (0.85) FERMT2KDM4ELMNAHTTHSD17B10
SCHEMBL30128693 0.78 FERMT2 (0.61) FERMT2CCNCCDK8KDM4ELMNA
SCHEMBL1219722 0.77 CYP2C19 (0.51) HTTALDH1A1NPSR1
SCHEMBL2990677 0.76 MAPT (0.46) LMNAHTTALDH1A1EGFR
SCHEMBL8541628 0.75 FERMT2 (0.57) FERMT2CCNCCDK8KDM4ELMNA
SCHEMBL1594797 0.75 ALDH1A1 (0.72) KDM4ELMNAHTTALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045538-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-02-21 US disclosed
US-6992089-B2 Nitro and amino substituted topoisomerase agents RUTGERS, THE UNIVERSITY OF NEW JERSEY (US) 2006-01-31 US disclosed
US-20040102443-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-27 US disclosed
WO-2004014906-A2 NITRO AND AMINO SUBSTITUTED DIBENZONAPHTHYRIDINES AS TOPOISOMERASE AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2004-02-19 WO 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 (2 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-20080045538-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B FERMT2 4234/4885CCNC 247/4885CDK8 439/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B FERMT2 4079/4885CCNC 532/4885CDK8 671/4885

“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.