SCHEMBL19939007

SCHEMBL19939007

S=P12c3c4cccc3N(c3ccccc3)c3c5c6c(c(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1)N(c1ccccc1)c1cc(-c2ccccc2)cc2c1P6(=S)c1c(cc(-c3ccccc3)cc1N5c1ccccc1)N2c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
FAAH O00519 2/20 0.34
MGLL Q99685 2/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
PDE6D O43924 1/20 0.32
CES2 O00748 1/20 0.32
BCHE P06276 1/20 0.32
GAA P10253 1/20 0.32
CES1 P23141 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL19939035 0.90 FAAH (0.32) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL19938304 0.89 MGLL (0.37) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL19938995 0.89 GAA (0.38) ALDH1A1MGLLCES2BCHEGAA
SCHEMBL19938436 0.82 MGLL (0.44) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL19939063 0.82 MGLL (0.37) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL19938211 0.82 ALDH1A1 (0.38) ALDH1A1MGLLPDE6DCES2BCHE
SCHEMBL22195346 0.82 CES2 (0.33) ALDH1A1CES2BCHEGAACES1
SCHEMBL19939041 0.82
SCHEMBL19939011 0.82
SCHEMBL19939044 0.79 CES2 (0.32) ALDH1A1CES2BCHEGAACES1

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 ALDH1A1 3566/4885FAAH 3478/4885MGLL 3731/4885
US-10686141-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 ALDH1A1 3566/4885FAAH 3478/4885MGLL 3731/4885
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 ALDH1A1 3566/4885FAAH 3478/4885MGLL 3731/4885
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 ALDH1A1 3566/4885FAAH 3478/4885MGLL 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.