SCHEMBL20259239

SCHEMBL20259239

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
DGAT2 Q96PD7 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ACACB O00763 13/20 0.35
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL20239291 0.87 ACACB (0.42) DGAT2RAB9ANPC1ACACBTP53
SCHEMBL20239170 0.85 DGAT2 (0.50) SMN1; SMN2DGAT2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL20239229 0.84 DGAT2 (0.49) SMN1; SMN2DGAT2RAB9ANPC1ALDH1A1
SCHEMBL28425724 0.84 ACACB (0.38) SMN1; SMN2DGAT2ACACBCA1CA2
SCHEMBL20239275 0.83 CA1 (0.44) SMN1; SMN2DGAT2RAB9ANPC1ALDH1A1
SCHEMBL20239319 0.74 DGAT2 (0.60) SMN1; SMN2DGAT2RAB9AALDH1A1CA1
SCHEMBL20239335 0.72 SLC6A4 (0.43) RAB9ANPC1ACACB
SCHEMBL20239155 0.72 ACACB (0.51) ACACBALDH1A1
SCHEMBL20239261 0.72 DGAT2 (0.51) SMN1; SMN2DGAT2RAB9AALDH1A1
SCHEMBL20239218 0.72 DGAT2 (0.47) DGAT2RAB9ANPC1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 4828/4885DGAT2 1/4885RAB9A 1170/4885

“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.