SCHEMBL26548015

SCHEMBL26548015

CS(=N)(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.69
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
HTT P42858 4/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MITF O75030 1/20 0.54
HIF1A Q16665 1/20 0.53
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 1/20 0.44
ALDH3A1 P30838 2/20 0.44
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 3/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL550564 0.86 VCAM1 (0.73) VCAM1ALDH1A1MAPTHTTLMNA
SCHEMBL29550525 0.86 VCAM1 (0.73) VCAM1ALDH1A1MAPTHTTLMNA
SCHEMBL8195359 0.82 VCAM1 (0.73) VCAM1ALDH1A1MAPTHTTLMNA
SCHEMBL6417727 0.82 VCAM1 (1.00) VCAM1ALDH1A1MAPTHTTLMNA
SCHEMBL133996 0.82 VCAM1 (1.00) VCAM1ALDH1A1MAPTHTTLMNA
SCHEMBL29510874 0.82 VCAM1 (1.00) VCAM1ALDH1A1MAPTHTTLMNA
SCHEMBL2313760 0.79 VCAM1 (0.69) VCAM1ALDH1A1MAPTHTTLMNA
SCHEMBL377111 0.79 VCAM1 (0.73) VCAM1ALDH1A1MAPTHTTLMNA
SCHEMBL1491246 0.79 VCAM1 (0.73) VCAM1ALDH1A1MAPTHTTLMNA
Potassium Ion SCHEMBL11769055 0.79 VCAM1 (0.73) VCAM1ALDH1A1MAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 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-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS EP300, HDAC1, BRD3 VCAM1 1233/4885ALDH1A1 2743/4885MAPT 1105/4885

“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.