SCHEMBL13856221

SCHEMBL13856221

O=C(O)C1Nc2c(cccc2[N+](=O)[O-])C2C=CCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 4/20 1.00
PTPN7 P35236 13/20 0.68
HSPA1A P0DMV8 10/20 0.68
HSPA8 P11142 7/20 0.68
GAPDH P04406 6/20 0.68
TDP1 Q9NUW8 5/20 0.68
KDM4E B2RXH2 4/20 0.68
MEN1 O00255 4/20 0.68
POLB P06746 4/20 0.68
MAPT P10636 4/20 0.68
KMT2A Q03164 4/20 0.68
HSD17B10 Q99714 4/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
RECQL P46063 3/20 0.68
BLM P54132 3/20 0.68
THRB P10828 2/20 0.68
CACNA1B Q00975 2/20 0.68
APBA1 Q02410 2/20 0.68
ALOX15 P16050 2/20 0.68
USP2 O75604 1/20 0.68

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
SCHEMBL2116061 0.81 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8GAPDH
SCHEMBL14680373 0.80 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8GAPDH
SCHEMBL14758490 0.80 CDC25B (1.00) NR4A1PTPN7HSPA1AHSPA8GAPDH
SCHEMBL2804418 0.80 CDC25B (1.00) NR4A1PTPN7HSPA1AHSPA8GAPDH
SCHEMBL13726071 0.78 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8GAPDH
SCHEMBL23949485 0.77 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8GAPDH
SCHEMBL2117317 0.77 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8GAPDH
SCHEMBL13401416 0.76 NR4A1 (0.61) NR4A1PTPN7HSPA1AHSPA8GAPDH
SCHEMBL13726135 0.76 PTPN7 (0.81) NR4A1PTPN7HSPA1AHSPA8GAPDH
SCHEMBL13726075 0.75 CDC25B (0.76) NR4A1PTPN7HSPA1AHSPA8GAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD NR4A1 4082/4885PTPN7 3199/4885HSPA1A 535/4885

“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.