SCHEMBL4590692

SCHEMBL4590692

O=C1C2CCCCC2C(=O)N1c1ccc2cn[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 3/20 0.47
APAF1 O14727 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 2/20 0.41
ROCK2 O75116 2/20 0.41
GSK3B P49841 2/20 0.41
MAP3K11 Q16584 1/20 0.41
NOS1 P29475 3/20 0.41
DYRK1A Q13627 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 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
SCHEMBL4590575 0.89 ROCK2 (0.52) KMT2AMEN1RAB9ASMN1; SMN2JAK2
SCHEMBL3192180 0.81 L3MBTL1 (0.50) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL3192168 0.81 L3MBTL1 (0.50) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL3184414 0.80 MAPT (0.41) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL3184394 0.80 MAPT (0.41) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL3189581 0.78 TSHR (0.53) ALDH1A1KMT2AMAPTKDM4EHSD17B10
SCHEMBL3186468 0.78 TSHR (0.53) ALDH1A1KMT2AMAPTKDM4EHSD17B10
SCHEMBL3190345 0.74 MAPT (0.49) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL3191249 0.71 KMT2A (0.42) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL29039315 0.71 NOS1 (0.49) ALDH1A1KMT2AMAPTMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 3191/4885KMT2A 1756/4885MAPT 4124/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885KMT2A 1756/4885MAPT 4124/4885

“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.