SCHEMBL3200834

SCHEMBL3200834

O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c3ccccc13)[C@@H]1C=C[C@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GRM4 Q14833 1/20 0.49
GRM1 Q13255 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46
ESR2 Q92731 1/20 0.46
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL4592017 1.00 MEN1 (0.52) MEN1KMT2AGRM4GRM1SMN1; SMN2
SCHEMBL3200843 1.00 MEN1 (0.52) MEN1KMT2AGRM4GRM1SMN1; SMN2
SCHEMBL3191151 0.91 POLB (0.54) MEN1KMT2AGRM4GRM1ALDH1A1
SCHEMBL3191165 0.91 POLB (0.54) MEN1KMT2AGRM4GRM1ALDH1A1
SCHEMBL3179075 0.85 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL3179085 0.85 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL3181142 0.85 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL3181148 0.85 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL5922774 0.82 MEN1 (0.52) MEN1KMT2AGRM4GRM1SMN1; SMN2
SCHEMBL3187616 0.82 MEN1 (0.52) MEN1KMT2AGRM4GRM1SMN1; SMN2

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
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 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
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 1756/4885GRM4 237/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 MEN1 1676/4885KMT2A 1756/4885GRM4 237/4885

“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.