SCHEMBL13856992

SCHEMBL13856992

O=C(O)c1cccc2c1NC(c1cccc([N+](=O)O)c1)C1CC=CC21

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 6/20 0.83
HSPD1 P10809 1/20 0.67
HSPE1 P61604 1/20 0.67
CDC25B P30305 1/20 0.58
PSD A5PKW4 1/20 0.55
CYBB P04839 1/20 0.53
POLB P06746 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
HPN P05981 2/20 0.49
HSPA1A P0DMV8 1/20 0.48
HSPA8 P11142 1/20 0.48
CD44 P16070 1/20 0.48
MSN P26038 1/20 0.48
PTPN7 P35236 1/20 0.48
LIN28A Q9H9Z2 1/20 0.48
USP7 Q93009 1/20 0.46
FPR1 P21462 1/20 0.46
CDK2 P24941 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL13856202 0.91 NR4A1 (1.00) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL15828179 0.88 NR4A1 (0.84) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL3413588 0.86 NR4A1 (0.76) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL3412168 0.84 NR4A1 (0.71) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL15828211 0.84 NR4A1 (0.71) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL13856218 0.82 NR4A1 (1.00) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL23949779 0.80 NR4A1 (0.74) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL23949768 0.78 NR4A1 (0.71) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL13856249 0.76 NR4A1 (1.00) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL23949797 0.76 NR4A1 (0.72) NR4A1HSPD1HSPE1CDC25BPSD

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-11369622-B2 Methods and compounds to inhibit enveloped virus release NORTHWESTERN UNIVERSITY (US) 2022-06-28 US disclosed
US-20200368258-A1 Methods and Compounds to Inhibit Enveloped Virus Release NORTHWESTERN UNIVERSITY (US) 2020-11-26 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 (2 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-20200368258-A1 Methods and Compounds to Inhibit Enveloped Virus Release SARS1, EEA1, ZC3HAV1 NR4A1 3595/4885HSPD1 1048/4885HSPE1 538/4885
US-11369622-B2 Methods and compounds to inhibit enveloped virus release SARS1, EEA1, ZC3HAV1 NR4A1 3595/4885HSPD1 1048/4885HSPE1 538/4885

“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.