SCHEMBL3197930

SCHEMBL3197930

O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)c(-n3cccc3)cc1Cl)[C@@H]1C=C[C@H]2CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GRM4 Q14833 1/20 0.39
GRM1 Q13255 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
SCHEMBL3197941 1.00 POLB (0.46) POLBALDH1A1ATML3MBTL1KMT2A
SCHEMBL3187241 0.91 GRM4 (0.46) ALDH1A1KMT2AMEN1GRM4GRM1
SCHEMBL3187226 0.91 GRM4 (0.46) ALDH1A1KMT2AMEN1GRM4GRM1
SCHEMBL3198785 0.88 POLB (0.50) POLBALDH1A1ATML3MBTL1KMT2A
SCHEMBL3198793 0.88 POLB (0.50) POLBALDH1A1ATML3MBTL1KMT2A
SCHEMBL4081661 0.82 L3MBTL1 (0.51) POLBL3MBTL1GRM4GRM1
SCHEMBL4081657 0.82 L3MBTL1 (0.51) POLBL3MBTL1GRM4GRM1
SCHEMBL3197890 0.79 PPOX (0.47) POLBALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3204693 0.78 GRM4 (0.49) ALDH1A1KMT2AMEN1GRM4GRM1
SCHEMBL3189092 0.78 GRM4 (0.49) ALDH1A1KMT2AMEN1GRM4GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 POLB 3096/4885ALDH1A1 3191/4885ATM 1135/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 POLB 3096/4885ALDH1A1 3191/4885ATM 1135/4885

“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.