SCHEMBL3190732

SCHEMBL3190732

O=C1C2C3CCC(C4CC43)C2C(=O)N1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.55
SCN2A Q99250 1/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.44
BCL2A1 Q16548 1/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3190723 1.00 HPN (0.55) HPNSCN2AMEN1KMT2AGAA
SCHEMBL3190715 1.00 HPN (0.55) HPNSCN2AMEN1KMT2AGAA
SCHEMBL3194247 0.86 ALDH1A1 (0.38) HPNSCN2AMAPTALDH1A1HTT
SCHEMBL3194241 0.86 ALDH1A1 (0.38) HPNSCN2AMAPTALDH1A1HTT
SCHEMBL3194236 0.86 ALDH1A1 (0.38) HPNSCN2AMAPTALDH1A1HTT
SCHEMBL3186785 0.83 SCN2A (0.46) SCN2AMEN1KMT2AGAAMAPT
SCHEMBL3186790 0.83 SCN2A (0.46) SCN2AMEN1KMT2AGAAMAPT
SCHEMBL3186778 0.83 SCN2A (0.46) SCN2AMEN1KMT2AGAAMAPT
SCHEMBL3188961 0.79 ALDH1A1 (0.59) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL3188953 0.79 ALDH1A1 (0.59) MEN1KMT2AGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US claimed
EP-1379249-A4 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-01-09 EP claimed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 US claimed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 US claimed
EP-1379249-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-01-14 EP claimed
WO-2002067939-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-06 WO claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 HPN 2753/4885SCN2A 3132/4885MEN1 1676/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 HPN 2753/4885SCN2A 3132/4885MEN1 1676/4885

“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.