SCHEMBL20239137

SCHEMBL20239137

COc1ccc(CNc2nc(C#N)cc(Oc3ccc(CCNS(C)(=O)=O)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA5A P35218 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.42
GLA P06280 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL20259163 0.88 ALDH1A1 (0.46) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL20239270 0.85 CA1 (0.46) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL20239352 0.84 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1GLA
SCHEMBL20239253 0.82 ALDH1A1 (0.43) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL20239136 0.82 CA12 (0.41) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL20239340 0.81 DGAT2 (0.40) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL2093102 0.75 CA12 (0.73) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL20239193 0.73 CNR2 (0.47) SMN1; SMN2LMNAHTTCNR2MAPK8
SCHEMBL20472863 0.73 DYRK1A (0.46) SMN1; SMN2LMNAHTTCA12CA1
SCHEMBL20239233 0.72 ALDH1A1 (0.53) SMN1; SMN2CA12CA1CA2CA9

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 SMN1; SMN2 4828/4885LMNA 2022/4885HTT 1239/4885
US-10053429-B2 DGAT2 inhibitors DGAT2, DGAT1, LCAT SMN1; SMN2 4835/4885LMNA 1722/4885HTT 1291/4885

“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.