SCHEMBL6429048

SCHEMBL6429048

CC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
POLB P06746 6/20 0.61
MAPT P10636 6/20 0.60
MITF O75030 6/20 0.60
KMT2A Q03164 6/20 0.60
MEN1 O00255 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
MAPK1 P28482 2/20 0.60
HTT P42858 2/20 0.60
PAX8 Q06710 5/20 0.60
NPSR1 Q6W5P4 3/20 0.60
S1PR4 O95977 1/20 0.60
S1PR1 P21453 1/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
KDM4E B2RXH2 2/20 0.59

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
SCHEMBL31349233 0.87 ALDH1A1 (0.59) ALDH1A1POLBMAPTMITFKMT2A
SCHEMBL31349311 0.86 POLB (0.76) ALDH1A1POLBMAPTMITFKMT2A
SCHEMBL31349230 0.86 MITF (0.69) ALDH1A1POLBMAPTMITFKMT2A
SCHEMBL6427605 0.85 ALDH1A1 (0.66) ALDH1A1POLBMAPTMITFKMT2A
SCHEMBL6427542 0.85 ALDH1A1 (0.69) ALDH1A1POLBMAPTMITFKMT2A
SCHEMBL31349253 0.85 ALDH1A1 (0.62) ALDH1A1POLBMAPTMITFKMT2A
SCHEMBL6429133 0.85 POLB (0.71) ALDH1A1POLBMAPTMITFKMT2A
SCHEMBL31349254 0.85 POLB (0.57) ALDH1A1POLBMAPTMITFKMT2A
SCHEMBL31349296 0.83 POLB (0.66) ALDH1A1POLBMAPTMITFKMT2A
SCHEMBL31349313 0.83 ALDH1A1 (0.63) ALDH1A1POLBMAPTMITFKMT2A

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
EP-4743446-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA Board of Trustees of Michigan State University (US) 2026-05-20 EP disclosed
WO-2025015066-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2025-01-16 WO disclosed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 ALDH1A1 2116/4885POLB 2506/4885MAPT 4111/4885

“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.