SCHEMBL5875754

SCHEMBL5875754

CN(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 5/20 0.42
HTR2C P28335 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 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
SCHEMBL5875813 0.93 RAD52 (0.41) RAD52HTR2CKMT2AMEN1SMN1; SMN2
SCHEMBL5875888 0.84 RAD52 (0.40) RAD52HTR2CKMT2AMEN1SMN1; SMN2
SCHEMBL5875749 0.83 MAPT (0.36) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL5875893 0.78 RAD52 (0.44) RAD52HTR2CKMT2AMEN1SMN1; SMN2
SCHEMBL238449 0.77 HTR2C (0.41) RAD52HTR2CKMT2AMEN1SMN1; SMN2
SCHEMBL5875809 0.76 MAPT (0.36) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL240763 0.72 KMT2A (0.42) RAD52KMT2AMEN1SMN1; SMN2POLB
SCHEMBL13163275 0.71 HTR2C (0.41) RAD52HTR2CKMT2AMEN1SMN1; SMN2
SCHEMBL20944753 0.71 ALDH1A1 (0.34) RAD52KMT2AMEN1POLBALDH1A1
SCHEMBL239478 0.68 KMT2A (0.43) KMT2AMEN1SMN1; SMN2POLBMAPT

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-6989387-B2 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-01-24 US disclosed
US-20040110760-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-06-10 US disclosed
WO-2004014918-A1 NITRO AND AMINO SUBSTITUTED 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 (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-20040110760-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B RAD52 676/4885HTR2C 3821/4885KMT2A 1207/4885

“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.