SCHEMBL20320306

SCHEMBL20320306

C=C(C)C(=O)NCCCN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(CCCNC(=O)C(=C)C)Cc2ccccc2B(O)O)c2cc(-c3cccc(O)c3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.34
APP P05067 4/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
ACKR3 P25106 2/20 0.31
PTAFR P25105 1/20 0.31

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
SCHEMBL7269820 0.88 APP (0.35) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL20320676 0.84 TMEM97 (0.33) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL13068305 0.83 GAA (0.36) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL1506800 0.83 APP (0.35) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL20346322 0.82 APP (0.32) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL5673675 0.80 APP (0.33) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL23193510 0.80 APP (0.33) APP
SCHEMBL5674048 0.78 HDAC1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13067887 0.78 TMEM97 (0.36) HDAC3HDAC1HDAC2
SCHEMBL7263798 0.77 HDAC3 (0.33) APPHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210101915-A1 NEAR-IR GLUCOSE SENSORS PROFUSA, INC. (US) 2021-04-08 US disclosed
US-10717751-B2 Near-IR glucose sensors PROFUSA, INC. (US) 2020-07-21 US disclosed
US-20180179233-A1 NEAR-IR GLUCOSE SENSORS PROFUSA, INC. (US) 2018-06-28 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 (3 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-20210101915-A1 NEAR-IR GLUCOSE SENSORS IRS1, INSR, SLC2A4 ICMT 1004/4885APP 3950/4885MTNR1A 2602/4885
US-20180179233-A1 NEAR-IR GLUCOSE SENSORS IRS1, INSR, SLC2A4 ICMT 1004/4885APP 3950/4885MTNR1A 2602/4885
US-10717751-B2 Near-IR glucose sensors IRS1, G6PD, SLC2A8 ICMT 1738/4885APP 3196/4885MTNR1A 2143/4885

“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.