Sugi Predict

Sugi Predict / Compounds / SCHEMBL19938464

SCHEMBL19938464

SCHEMBL19938464

O=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccc3c5ccccc5c5ccccc5c3c1)c1cccc(c12)N4c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MGLL Q99685 4/20 0.33
▸ HTT P42858 3/20 0.33
▸ FAAH O00519 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ USP2 O75604 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ KEAP1 Q14145 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
SCHEMBL19938219 0.85 ALDH1A1 (0.42) ALDH1A1GAACES2BCHECES1
SCHEMBL19938314 0.84 CES2 (0.30) ALDH1A1GAACES2BCHECES1
SCHEMBL17915739 0.83 MAPK1 (0.38) ALDH1A1GAACES2BCHECES1
SCHEMBL17915768 0.83 MAPK1 (0.38) ALDH1A1GAACES2BCHECES1
SCHEMBL19938665 0.82 P2RX4 (0.30) —
SCHEMBL22096185 0.78 CYP1A2 (0.39) ALDH1A1GAACES2BCHECES1
SCHEMBL19938598 0.78 MGLL (0.48) ALDH1A1GAACES2BCHECES1
SCHEMBL19939054 0.78 ALDH1A1 (0.42) ALDH1A1GAACES2BCHECES1
SCHEMBL19939092 0.78 GAA (0.37) ALDH1A1GAACES2BCHECES1
SCHEMBL19938240 0.78 ALDH1A1 (0.32) ALDH1A1GAACES2BCHECES1

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 3566/4885GAA 1697/4885CES2 2597/4885
US-10686141-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 ALDH1A1 3566/4885GAA 1697/4885CES2 2597/4885
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 ALDH1A1 3566/4885GAA 1697/4885CES2 2597/4885
US-20200220083-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 ALDH1A1 3566/4885GAA 1697/4885CES2 2597/4885

“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.