SCHEMBL8358258

SCHEMBL8358258

O=C(O)c1ccc([N+](=O)[O-])c2c1NC(c1ccccc1)C1CC=CC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 6/20 1.00
FPR1 P21462 1/20 0.83
CDK2 P24941 1/20 0.83
HSPA1A P0DMV8 1/20 0.72
PTPN7 P35236 1/20 0.72
HSPD1 P10809 1/20 0.59
HSPE1 P61604 1/20 0.59
POLB P06746 5/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
USP7 Q93009 1/20 0.50
APOBEC3A P31941 1/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 2/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL8358260 0.92 NR4A1 (0.85) NR4A1FPR1CDK2HSPA1APTPN7
SCHEMBL8358146 0.91 FPR1 (1.00) NR4A1FPR1CDK2HSPA1APTPN7
SCHEMBL16325985 0.82 NR4A1 (0.70) NR4A1FPR1CDK2HSPA1APTPN7
SCHEMBL3413588 0.76 NR4A1 (0.76) NR4A1FPR1CDK2HSPA1APTPN7
SCHEMBL13856218 0.76 NR4A1 (1.00) NR4A1FPR1CDK2HSPA1APTPN7
SCHEMBL13856202 0.74 NR4A1 (1.00) NR4A1FPR1CDK2HSPA1APTPN7
SCHEMBL15828179 0.69 NR4A1 (0.84) NR4A1FPR1CDK2HSPA1APTPN7
SCHEMBL13856992 0.69 NR4A1 (0.83) NR4A1FPR1CDK2HSPA1APTPN7
SCHEMBL23949779 0.68 NR4A1 (0.74) NR4A1FPR1CDK2HSPA1APTPN7
SCHEMBL16406028 0.67 USP7 (1.00) NR4A1HSPA1APTPN7MAPTMEN1

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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
WO-2003039540-A2 D-AMINO ACID OXIDASE INHIBITORS FOR LEARNING AND MEMORY SEPRACOR INC. (US) 2003-05-15 WO 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 4082/4885FPR1 4021/4885CDK2 263/4885

“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.