SCHEMBL3196298

SCHEMBL3196298

O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 4/20 0.53
TNKS O95271 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
POLB P06746 3/20 0.52
TP53 P04637 2/20 0.52
PSMD14 O00487 1/20 0.52
MMP2 P08253 1/20 0.52
CHRNA7 P36544 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDE4B Q07343 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42

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
SCHEMBL3196315 1.00 KDM4E (0.53) KDM4EL3MBTL1HTTALDH1A1TNKS
SCHEMBL3188017 0.86 TP53 (0.51) KDM4EL3MBTL1HTTALDH1A1TNKS
SCHEMBL3187999 0.86 TP53 (0.51) KDM4EL3MBTL1HTTALDH1A1TNKS
SCHEMBL3188010 0.86 TP53 (0.51) KDM4EL3MBTL1HTTALDH1A1TNKS
SCHEMBL3191400 0.86 TP53 (0.46) KDM4EL3MBTL1HTTALDH1A1TNKS
SCHEMBL4591610 0.86 TP53 (0.46) KDM4EL3MBTL1HTTALDH1A1TNKS
SCHEMBL4591615 0.86 TP53 (0.46) KDM4EL3MBTL1HTTALDH1A1TNKS
SCHEMBL5241683 0.83 TP53 (0.51) KDM4EL3MBTL1HTTALDH1A1TNKS
SCHEMBL3191398 0.80 MEN1 (0.56) KDM4EL3MBTL1HTTALDH1A1TNKS
SCHEMBL3191415 0.80 MEN1 (0.56) KDM4EL3MBTL1HTTALDH1A1TNKS

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 KDM4E 876/4885L3MBTL1 3852/4885HTT 3748/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 KDM4E 876/4885L3MBTL1 3852/4885HTT 3748/4885

“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.