SCHEMBL19938494

SCHEMBL19938494

O=P12c3c4cccc3N(c3ccccc3)c3cc(Cl)cc(c31)N(c1ccccc1)c1cc(Cl)cc(c12)N4c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.38
PDE4D Q08499 1/20 0.38
MGLL Q99685 2/20 0.36
GAA P10253 5/20 0.35
ALDH1A1 P00352 2/20 0.35
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
CHRM1 P11229 1/20 0.33
GSK3A P49840 1/20 0.33

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
SCHEMBL19938508 0.90 OPRK1 (0.33) OPRK1PDE4DMGLLALDH1A1MEN1
SCHEMBL19938219 0.88 ALDH1A1 (0.42) MGLLGAAALDH1A1CES2BCHE
SCHEMBL19938367 0.83 OPRK1 (0.35) OPRK1PDE4DMGLLGAAALDH1A1
SCHEMBL19938621 0.81 OPRK1 (0.33) OPRK1PDE4DMGLLALDH1A1MEN1
SCHEMBL19939054 0.81 ALDH1A1 (0.42) MGLLGAAALDH1A1CES2BCHE
SCHEMBL19939092 0.81 GAA (0.37) MGLLGAAALDH1A1CES2BCHE
SCHEMBL23139912 0.79 ALDH1A1 (0.39) MGLLGAAALDH1A1CES2BCHE
SCHEMBL19939063 0.78 MGLL (0.37) MGLLGAAALDH1A1CES2BCHE
SCHEMBL19939124 0.78 CES2 (0.35) MGLLGAAALDH1A1CES2BCHE
SCHEMBL19938464 0.78 ALDH1A1 (0.33) MGLLGAAALDH1A1CES2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 US disclosed
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 US disclosed
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-09 US disclosed
US-10686141-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-06-16 US disclosed
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-03-08 US disclosed
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-03-08 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 (4 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-11653565-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 OPRK1 1573/4885PDE4D 4783/4885MGLL 3731/4885
US-10686141-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 OPRK1 1573/4885PDE4D 4783/4885MGLL 3731/4885
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 OPRK1 1573/4885PDE4D 4783/4885MGLL 3731/4885
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 OPRK1 1573/4885PDE4D 4783/4885MGLL 3731/4885

“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.