SCHEMBL3200129

SCHEMBL3200129

O=C1C[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 4/20 0.41
ALOX15 P16050 3/20 0.41
BPTF Q12830 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.35

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
SCHEMBL3200136 1.00 MEN1 (0.42) MEN1KMT2ATSHRALOX15BPTF
SCHEMBL3200144 1.00 MEN1 (0.42) MEN1KMT2ATSHRALOX15BPTF
SCHEMBL4591419 0.88 ALDH1A1 (0.46) MEN1KMT2ATSHRALOX15SMN1; SMN2
SCHEMBL3186377 0.88 ALDH1A1 (0.46) MEN1KMT2ATSHRALOX15SMN1; SMN2
SCHEMBL3187169 0.88 ALDH1A1 (0.46) MEN1KMT2ATSHRALOX15SMN1; SMN2
SCHEMBL4591420 0.88 ALDH1A1 (0.46) MEN1KMT2ATSHRALOX15SMN1; SMN2
SCHEMBL3189056 0.88 ALDH1A1 (0.43) MEN1KMT2ATSHRALOX15SMN1; SMN2
SCHEMBL3186387 0.88 ALDH1A1 (0.46) MEN1KMT2ATSHRALOX15SMN1; SMN2
SCHEMBL3187185 0.88 ALDH1A1 (0.46) MEN1KMT2ATSHRALOX15SMN1; SMN2
SCHEMBL3186370 0.88 ALDH1A1 (0.46) MEN1KMT2ATSHRALOX15SMN1; 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 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 MEN1 1676/4885KMT2A 1756/4885TSHR 133/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 MEN1 1676/4885KMT2A 1756/4885TSHR 133/4885

“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.