SCHEMBL22367100

SCHEMBL22367100

O=[N+]([O-])c1ccccc1C=NNC(=S)NN=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
GAA P10253 2/20 0.78
LMNA P02545 2/20 0.78
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 9/20 0.60
RAB9A P51151 9/20 0.60
MAPT P10636 4/20 0.60
POLB P06746 1/20 0.60
RRM1 P23921 1/20 0.55
RRM2 P31350 1/20 0.55
RRM2B Q7LG56 1/20 0.55
PKM P14618 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
THRB P10828 1/20 0.54

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
SCHEMBL17067847 0.91 LMNA (0.74) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL19441405 0.90 LMNA (0.73) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1206597 0.88 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1206598 0.88 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL19441406 0.86 LMNA (0.78) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL19449620 0.84 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL30423425 0.83 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AGAALMNA
Hydrochloric Acid SCHEMBL17560906 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL31058805 0.83 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL7747580 0.82 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200316011-A1 Targeting Mcl-1 to Enhance DNA Replication Stress Sensitivity for Cancer Therapy UNIV EMORY (US) 2020-10-08 US claimed
EP-3700524-A1 INHIBITORS OF MCL-1, COMPOSITIONS, AND USES IN MANAGING CANCER Emory University (US) 2020-09-02 EP claimed
US-20230060792-A1 Targeting Mcl-1 to Enhance DNA Replication Stress Sensitivity for Cancer Therapy UNIV EMORY (US) 2023-03-02 US disclosed
US-11524000-B2 Targeting Mcl-1 to enhance DNA replication stress sensitivity for cancer therapy EMORY UNIVERSITY (US) 2022-12-13 US disclosed
US-20200316011-A1 Targeting Mcl-1 to Enhance DNA Replication Stress Sensitivity for Cancer Therapy UNIV EMORY (US) 2020-10-08 US disclosed
EP-3700524-A1 INHIBITORS OF MCL-1, COMPOSITIONS, AND USES IN MANAGING CANCER Emory University (US) 2020-09-02 EP 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 (3 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-20230060792-A1 Targeting Mcl-1 to Enhance DNA Replication Stress Sensitivity for Cancer Therapy MCL1, PARP1, MRE11 ALDH1A1 1117/4885MEN1 1749/4885KMT2A 651/4885
US-11524000-B2 Targeting Mcl-1 to enhance DNA replication stress sensitivity for cancer therapy MCL1, PARP1, MRE11 ALDH1A1 1117/4885MEN1 1749/4885KMT2A 651/4885
US-20200316011-A1 Targeting Mcl-1 to Enhance DNA Replication Stress Sensitivity for Cancer Therapy MCL1, PARP1, MRE11 ALDH1A1 1117/4885MEN1 1749/4885KMT2A 651/4885

“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.