SCHEMBL31068643

SCHEMBL31068643

Cn1cnc2ncc(OCc3ccccc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
SRD5A2 P31213 1/20 0.43
BCHE P06276 1/20 0.43
MAOB P27338 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
AS3MT Q9HBK9 1/20 0.41
ALOX5 P09917 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
DYRK1A Q13627 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL31068638 0.75 HTT (0.55) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL12892833 0.73 LMNA (0.55) RAB9AMAOBALOX5MAPTLMNA
SCHEMBL1104631 0.72 MAOB (0.37) NPC1RAB9AMEN1KMT2APDGFRB
SCHEMBL31068640 0.71 GABRP (0.44) NPC1RAB9AMEN1KMT2APDGFRB
SCHEMBL8512404 0.69 MAOB (0.56) RAB9AMEN1KMT2APDGFRBPDGFRA
SCHEMBL5448369 0.69 MEN1 (0.53) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL14294456 0.68 NPC1 (0.43) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL2176865 0.68 ALOX5 (0.58) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL1400791 0.68 NPC1 (0.63) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL1713718 0.68 P4HTM (0.53) RAB9APDGFRBPDGFRABCHEMAOB

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-20240254114-A1 PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE 0-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-01 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-20240254114-A1 PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE 0-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 NPC1 79/4885RAB9A 3221/4885MEN1 3028/4885

“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.