SCHEMBL3196684

SCHEMBL3196684

O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)c(Cl)c1)[C@H]1CC[C@@H]2O1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 3/20 0.44
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADAM17 P78536 1/20 0.38
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 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
SCHEMBL3196697 1.00 RAD51 (0.45) RAD51L3MBTL1TSHRNPC1ATM
SCHEMBL3193070 0.87 ADAM17 (0.50) RAD51L3MBTL1NPC1MEN1KMT2A
SCHEMBL3193062 0.87 ADAM17 (0.50) RAD51L3MBTL1NPC1MEN1KMT2A
SCHEMBL3187224 0.83 TSHR (0.64) L3MBTL1TSHRATMALDH1A1SMN1; SMN2
SCHEMBL3183510 0.83 L3MBTL1 (0.43) L3MBTL1TSHRNPC1MEN1KMT2A
SCHEMBL3181902 0.83 L3MBTL1 (0.54) L3MBTL1TSHRMEN1KMT2AALDH1A1
SCHEMBL3183498 0.83 L3MBTL1 (0.43) L3MBTL1TSHRNPC1MEN1KMT2A
SCHEMBL3192689 0.83 KMT2A (0.47) RAD51L3MBTL1TSHRMEN1KMT2A
SCHEMBL3187240 0.83 TSHR (0.64) L3MBTL1TSHRATMALDH1A1SMN1; SMN2
SCHEMBL3181912 0.83 L3MBTL1 (0.54) L3MBTL1TSHRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319007-B9 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2007-10-10 EP claimed
EP-1319007-B1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US claimed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 EP disclosed
US-7141578-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 US disclosed
US-20060264459-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-11-23 US disclosed
US-20060223832-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-10-05 US disclosed
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-08 US disclosed
US-6953679-B2 Method for the preparation of fused heterocyclic succinimide compounds and analogs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-11 US disclosed
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-09-01 US disclosed
US-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 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 (6 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-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF SUCNR1, SHBG, FSHR RAD51 832/4885L3MBTL1 4545/4885TSHR 256/4885
US-20060223832-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 RAD51 1203/4885L3MBTL1 3916/4885TSHR 101/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 RAD51 1203/4885L3MBTL1 3916/4885TSHR 101/4885
US-20060264459-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 RAD51 1203/4885L3MBTL1 3916/4885TSHR 101/4885
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 RAD51 1203/4885L3MBTL1 3916/4885TSHR 101/4885
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 RAD51 1203/4885L3MBTL1 3916/4885TSHR 101/4885

“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.