SCHEMBL3200503

SCHEMBL3200503

O=C1C2CCCCC2C(=O)N1c1ccc(I)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 7/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
PPOX P50336 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
ADAM17 P78536 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL3189544 0.85 NPC1 (0.57) RXFP1NPC1ALDH1A1GAAHPGD
SCHEMBL3187654 0.81 KMT2A (0.50) RXFP1NPC1ALDH1A1GAAHPGD
SCHEMBL3187639 0.81 RXFP1 (0.49) RXFP1NPC1ALDH1A1GAAHPGD
SCHEMBL3180327 0.81 POLB (0.58) RXFP1NPC1ALDH1A1GAAHPGD
SCHEMBL3198063 0.79 ALDH1A1 (0.58) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL4591442 0.79 ALDH1A1 (0.58) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL3198077 0.79 ALDH1A1 (0.58) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL3203935 0.78 PPOX (0.46) RXFP1NPC1ALDH1A1GAAHPGD
SCHEMBL3194252 0.78 KMT2A (0.49) RXFP1ALDH1A1GAAHPGDLMNA
SCHEMBL3199274 0.78 KMT2A (0.47) RXFP1NPC1ALDH1A1GAAHPGD

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-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 RXFP1 702/4885NPC1 2951/4885ALDH1A1 3191/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 RXFP1 702/4885NPC1 2951/4885ALDH1A1 3191/4885

“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.