Sugi Predict

Sugi Predict / Compounds / SCHEMBL3202018

SCHEMBL3202018

SCHEMBL3202018

O=C1C[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)c4ccccc34)C(=O)[C@H]21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AR P10275 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ HCAR1 Q9BXC0 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
SCHEMBL6744234 1.00 MEN1 (0.39) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL6744238 1.00 MEN1 (0.39) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL3197022 0.85 MEN1 (0.39) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL3197002 0.85 MEN1 (0.39) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL3197014 0.85 MEN1 (0.39) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL3197658 0.82 MAPT (0.56) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL5922869 0.82 MAPT (0.56) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL5922865 0.82 MAPT (0.56) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL4592114 0.82 AR (0.54) AR
SCHEMBL3196797 0.82 AR (0.54) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MEN1 1676/4885KMT2A 1756/4885GAA 4211/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 MEN1 1676/4885KMT2A 1756/4885GAA 4211/4885

“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.