SCHEMBL20239291

SCHEMBL20239291

CCc1cnc(NCc2cc(NCc3ccc(OC)cc3)nc(Oc3ccc(CC(C)NS(N)(=O)=O)cc3)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.42
VNN1 O95497 6/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
PTGS2 P35354 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
HDAC1 Q13547 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAP2K7 O14733 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL20259239 0.87 SMN1; SMN2 (0.38) ACACBNPC1RAB9ADGAT2CA1
SCHEMBL20239335 0.87 SLC6A4 (0.43) ACACBVNN1NPC1RAB9AKMT2A
SCHEMBL28425724 0.86 ACACB (0.38) ACACBVNN1DGAT2CA1CA2
SCHEMBL20239218 0.86 DGAT2 (0.47) VNN1NPC1RAB9AKMT2AHDAC6
SCHEMBL20239155 0.86 ACACB (0.51) ACACBVNN1MAP2K7ALDH1A1
SCHEMBL20239342 0.85 CA12 (0.50) VNN1NPC1RAB9AKMT2APTGS2
SCHEMBL20259113 0.84 ACACB (0.47) ACACBVNN1MAP2K7ALDH1A1
SCHEMBL20472855 0.83 GPR39 (0.44) VNN1NPC1RAB9AKMT2APTGS2
SCHEMBL20239213 0.81 TAAR1 (0.41) VNN1NPC1RAB9AKMT2AHDAC6
SCHEMBL20239323 0.78 SLC6A4 (0.43) ACACBVNN1NPC1RAB9AKMT2A

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
CN-107635975-B DGAT2 inhibitors 伊莱利利公司 2020-07-24 CN disclosed
EP-3298001-B1 DGAT2 INHIBITORS LILLY CO ELI (US) 2020-05-13 EP disclosed
US-10053429-B2 DGAT2 inhibitors ELI LILLY AND COMPANY (US) 2018-08-21 US disclosed
US-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 US disclosed
US-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 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-20180162825-A1 NOVEL DGAT2 INHIBITORS DGAT2, DGAT1, LCAT ACACB 152/4885VNN1 3148/4885NPC1 33/4885
US-10053429-B2 DGAT2 inhibitors DGAT2, DGAT1, LCAT ACACB 152/4885VNN1 3615/4885NPC1 32/4885

“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.