SCHEMBL4081657

SCHEMBL4081657

O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)c(-n3cccc3)cc1Cl)[C@H]1CC[C@@H]2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
PPM1B O75688 4/20 0.33
PMP22 Q01453 2/20 0.33
NFKB1 P19838 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
PPP1CC P36873 1/20 0.33
TFPI2 P48307 1/20 0.33
RAB9A P51151 1/20 0.33
PPP5C P53041 1/20 0.33
PPP1CA P62136 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL4081661 1.00 L3MBTL1 (0.51) L3MBTL1CA12CA9POLBPPM1B
SCHEMBL3189399 0.88 L3MBTL1 (0.55) L3MBTL1PPM1BPMP22NFKB1SMN1; SMN2
SCHEMBL3189406 0.88 L3MBTL1 (0.55) L3MBTL1PPM1BPMP22NFKB1SMN1; SMN2
SCHEMBL3197941 0.82 POLB (0.46) L3MBTL1POLBGRM4GRM1
SCHEMBL3197930 0.82 POLB (0.46) L3MBTL1POLBGRM4GRM1
SCHEMBL3187241 0.79 GRM4 (0.46) SMN1; SMN2TDP1GRM4GRM1CYP3A4
SCHEMBL3187226 0.79 GRM4 (0.46) SMN1; SMN2TDP1GRM4GRM1CYP3A4
SCHEMBL3181723 0.79 L3MBTL1 (0.50) L3MBTL1PPM1BPMP22NFKB1SMN1; SMN2
SCHEMBL3181734 0.79 L3MBTL1 (0.50) L3MBTL1PPM1BPMP22NFKB1SMN1; SMN2
SCHEMBL3197890 0.79 PPOX (0.47) L3MBTL1CA12CA9POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319007-B9 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2007-10-10 EP claimed
EP-1319007-B1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US claimed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 EP disclosed
US-7141578-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 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-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 L3MBTL1 3916/4885CA12 3506/4885CA9 3064/4885

“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.