SCHEMBL4912004

SCHEMBL4912004

CN(C)CCNc1cnnc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TERT O14746 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NCF1 P14598 2/20 0.38
RIPK1 Q13546 1/20 0.38
KAT2B Q92831 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL4910296 0.82 CCNC (0.66) ALDH1A1NPSR1CCNCCDK8HTT
SCHEMBL4912943 0.75 NCF1 (0.59) ALDH1A1POLBKMT2ATERTNCF1
SCHEMBL4903360 0.75 FERMT2 (0.55) ALDH1A1NPSR1CCNCCDK8HTT
SCHEMBL1594797 0.74 ALDH1A1 (0.72) ALDH1A1NPSR1HTTPOLBMEN1
SCHEMBL26640796 0.74 MAPT (0.58) ALDH1A1NPSR1HTTPOLBMEN1
SCHEMBL6815730 0.73 ALDH1A1 (0.63) ALDH1A1NPSR1HTTPOLBMEN1
SCHEMBL30221510 0.73 ALDH1A1 (0.56) ALDH1A1NPSR1HTTPOLBMEN1
SCHEMBL1595477 0.73 ALDH1A1 (0.56) ALDH1A1NPSR1HTTPOLBMEN1
SCHEMBL26640672 0.73 ALDH1A1 (0.56) ALDH1A1NPSR1HTTPOLBMEN1
SCHEMBL3143350 0.73 POLB (0.61) ALDH1A1NPSR1HTTPOLBMEN1

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 ALDH1A1 2380/4885NPSR1 2594/4885CCNC 247/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B ALDH1A1 1476/4885NPSR1 2379/4885CCNC 532/4885

“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.