SCHEMBL20239236

SCHEMBL20239236

COc1ccc(CNc2cc(C#N)cc(Oc3ccc(CCNC(=O)O)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PTGDR Q13258 1/20 0.44
PTPN1 P18031 1/20 0.44
VNN1 O95497 2/20 0.44
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
GSK3B P49841 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
OPRM1 P35372 1/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41

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
SCHEMBL20252445 0.88 POLB (0.46) POLBMAPTSMN1; SMN2LMNAHTT
SCHEMBL20239276 0.85 LOXL2 (0.48) SMN1; SMN2PTGDRPTPN1GLAKMT2A
SCHEMBL30019455 0.85 HTT (0.57) MAPTSMN1; SMN2LMNAHTTPTGDR
SCHEMBL24690170 0.85 HTT (0.57) MAPTSMN1; SMN2LMNAHTTPTGDR
SCHEMBL20239179 0.83 ACACB (0.48) SMN1; SMN2LMNAHTTVNN1DYRK1A
SCHEMBL20472864 0.82 MAPT (0.45) POLBMAPTSMN1; SMN2LMNAPTPN1
SCHEMBL20239223 0.81 VNN1 (0.47) POLBSMN1; SMN2PTPN1VNN1GLA
SCHEMBL20239251 0.81 VNN1 (0.44) POLBSMN1; SMN2HTTPTPN1VNN1
SCHEMBL20239326 0.81 ALDH1A1 (0.43) POLBMAPTSMN1; SMN2LMNAHTT
SCHEMBL20239145 0.79 DYRK1A (0.46) POLBMAPTSMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 POLB 3328/4885MAPT 2739/4885SMN1; SMN2 4828/4885
US-10053429-B2 DGAT2 inhibitors DGAT2, DGAT1, LCAT POLB 3249/4885MAPT 2856/4885SMN1; SMN2 4835/4885

“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.