SCHEMBL3199013

SCHEMBL3199013

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
ADAM17 P78536 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL3199023 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL3199029 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL3263133 0.88 ADAM17 (0.48) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL3263138 0.88 ADAM17 (0.48) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL3263140 0.88 ADAM17 (0.48) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL3189626 0.85 TSHR (0.40) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL3189056 0.85 ALDH1A1 (0.43) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL3189617 0.85 TSHR (0.40) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL3197341 0.85 POLB (0.49) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL3197332 0.85 POLB (0.49) MEN1KMT2AALDH1A1TSHRLMNA

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 1756/4885ALDH1A1 3191/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 MEN1 1676/4885KMT2A 1756/4885ALDH1A1 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.