SCHEMBL5875893

SCHEMBL5875893

CN(C)CCN(C(=O)c1ccccc1I)c1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.44
HTR2C P28335 1/20 0.43
POLB P06746 3/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.40
MITF O75030 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 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
SCHEMBL238449 0.85 HTR2C (0.41) RAD52HTR2CPOLBKMT2AMEN1
SCHEMBL5875888 0.82 RAD52 (0.40) RAD52HTR2CPOLBKMT2AMEN1
SCHEMBL5875891 0.81 GABRA1 (0.36) POLBKMT2AMEN1RAB9AALDH1A1
SCHEMBL240763 0.80 KMT2A (0.42) RAD52POLBKMT2AMEN1MITF
SCHEMBL13163275 0.80 HTR2C (0.41) RAD52HTR2CPOLBKMT2AMEN1
SCHEMBL5875813 0.78 RAD52 (0.41) RAD52HTR2CPOLBKMT2AMEN1
SCHEMBL5875754 0.78 RAD52 (0.42) RAD52HTR2CPOLBKMT2AMEN1
SCHEMBL239478 0.77 KMT2A (0.43) POLBKMT2AMEN1RAB9AALDH1A1
SCHEMBL4986665 0.75 GABRA1 (0.40) RAD52POLBKMT2AMEN1ALDH1A1
SCHEMBL13993580 0.74 ALDH1A1 (0.39) POLBKMT2AMEN1ALDH1A1SMN1; SMN2

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 3821/4885POLB 31/4885

“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.