SCHEMBL18236237

SCHEMBL18236237

CNc1nnc(C(=O)Nc2ccccc2)o1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.55
ALDH1A1 P00352 2/20 0.46
PTGS2 P35354 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL18233063 0.84 DGAT1 (0.55) DGAT1ALDH1A1PTGS2HTTL3MBTL1
SCHEMBL5302124 0.83 DGAT1 (0.71) DGAT1MEN1KMT2ATDP1HPGD
SCHEMBL18415349 0.81 MEN1 (0.51) DGAT1ALDH1A1HTTMEN1KMT2A
SCHEMBL5300455 0.80 DGAT1 (0.58) DGAT1NPC1RAB9A
SCHEMBL4788254 0.79 DGAT1 (0.62) DGAT1ALDH1A1HTTMEN1KMT2A
SCHEMBL4787021 0.79 DGAT1 (0.65) DGAT1MEN1KMT2A
SCHEMBL5307790 0.78 DGAT1 (0.61) DGAT1ALDH1A1MEN1KMT2ATDP1
SCHEMBL4788552 0.77 DGAT1 (0.67) DGAT1KMT2A
SCHEMBL4618813 0.77 DGAT1 (0.67) DGAT1ALDH1A1PTGS2HTTL3MBTL1
SCHEMBL5302841 0.77 DGAT1 (0.56) DGAT1MEN1KMT2ANPC1RAB9A

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-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 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-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 DGAT1 4267/4885ALDH1A1 3457/4885PTGS2 3548/4885

“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.