SCHEMBL16640912

SCHEMBL16640912

CN1C(=N)N[C@@](c2ccccc2)(c2cccc(Nc3ccccc3)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.38
AR P10275 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
FAAH O00519 1/20 0.36
PGR P06401 1/20 0.35

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
SCHEMBL7534397 1.00 APP (0.45) APPPOLBMEN1KMT2AALDH1A1
SCHEMBL7534429 0.93 APP (0.40) APPPOLBMEN1KMT2AALDH1A1
SCHEMBL7536350 0.89 BACE1 (0.39) APPPOLBMEN1KMT2A
SCHEMBL7602105 0.86 MEN1 (0.46) POLBMEN1KMT2AMAPTTSHR
SCHEMBL7540078 0.86 TLR4 (0.37) APPPOLBMEN1KMT2AALDH1A1
SCHEMBL7564962 0.85 KMT2A (0.45) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL7557964 0.85 OPRM1 (0.43) POLBMEN1KMT2AALDH1A1TSHR
SCHEMBL2970429 0.85 POLB (0.39) POLBMEN1KMT2A
SCHEMBL7531542 0.85 POLB (0.46) APPPOLBALDH1A1MAPTTSHR
SCHEMBL7536298 0.85 BACE1 (0.42) APPPOLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 US disclosed
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 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-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ APP 66/4885POLB 2324/4885MEN1 1927/4885

“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.