SCHEMBL3789909

SCHEMBL3789909

COc1ccc(CN2CCOc3ccc(Br)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.42
TNIK Q9UKE5 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HDAC1 Q13547 2/20 0.39

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
SCHEMBL3793471 0.86 POLB (0.44) SMN1; SMN2MAPTKDM4ELMNAHDAC1
SCHEMBL1671236 0.83 AR (0.47) MAPTKDM4EPKMLMNAKMT2A
SCHEMBL23643702 0.82 SIGMAR1 (0.48) L3MBTL1NPC1TNIKSIGMAR1ROCK2
SCHEMBL5739046 0.82 L3MBTL1 (0.57) SMN1; SMN2L3MBTL1THRBTP53NPC1
SCHEMBL16014355 0.81 TNIK (0.58) TNIKROCK2ROCK1
SCHEMBL18581835 0.81 HDAC6 (0.58) SMN1; SMN2THRBMAPTTP53NPC1
SCHEMBL18581189 0.80 CYP2C9 (0.53) SMN1; SMN2THRBMAPTTP53NPC1
SCHEMBL19927110 0.80 THRB (0.46) SMN1; SMN2THRBMAPTTP53NPC1
SCHEMBL3789249 0.78 HDAC1 (0.54) SMN1; SMN2GAALMNASIGMAR1HDAC1
SCHEMBL3792641 0.78 SMN1; SMN2 (0.51) SMN1; SMN2THRBMAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 US disclosed
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 CN disclosed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 US disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 US disclosed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 US disclosed
EP-3507290-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES Agios Pharmaceuticals, Inc. (US) 2019-07-10 EP disclosed
US-10329298-B2 Inhibitors of cellular metabolic processes AGIOS PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 US disclosed
WO-2018045071-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES AGIOS PHARMACEUTICALS, INC. (US) 2018-03-08 WO disclosed
WO-2018039972-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES AGIOS PHARMACEUTICALS, INC. (US) 2018-03-08 WO disclosed
WO-2010128152-A1 FUSED HETEROCYCLIC C-GLYCOSIDES FOR THE TREATMENT OF DIABETES NOVARTIS AG (CH) 2010-11-11 WO 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 (5 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-10329298-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 SMN1; SMN2 2162/4885L3MBTL1 2793/4885THRB 698/4885
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 SMN1; SMN2 2162/4885L3MBTL1 2793/4885THRB 698/4885
US-10800782-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 SMN1; SMN2 2162/4885L3MBTL1 2793/4885THRB 698/4885
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 SMN1; SMN2 2162/4885L3MBTL1 2793/4885THRB 698/4885
US-11325914-B1 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 SMN1; SMN2 2162/4885L3MBTL1 2793/4885THRB 698/4885

“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.