Sugi Predict

Sugi Predict / Compounds / SCHEMBL558687

SCHEMBL558687

SCHEMBL558687

COC(=O)c1cccc(OC2CCOCC2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 1/20 0.55
▸ BAZ2B Q9UIF8 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PDE4D Q08499 4/20 0.38
▸ PDE4A P27815 3/20 0.38
▸ PDE4B Q07343 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ PDE5A O76074 2/20 0.38
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL15608424 0.91 ALDH1A1 (0.44) KAT2BBAZ2BALDH1A1MAPK1MAPT
SCHEMBL8978513 0.82 KAT2B (0.74) KAT2BBAZ2BALDH1A1KMT2ASMN1; SMN2
SCHEMBL16692250 0.81 KAT2B (0.61) KAT2BBAZ2BSMN1; SMN2KDM4EPDE4D
SCHEMBL17559358 0.81 CXCR2 (0.43) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL558490 0.80 KAT2B (0.60) KAT2BBAZ2BALDH1A1SMN1; SMN2KDM4E
SCHEMBL2521491 0.79 HPGD (0.52) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL15608355 0.78 TSHR (0.43) KAT2BBAZ2BALDH1A1MAPK1SMN1; SMN2
SCHEMBL31383842 0.77 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL8421994 0.76 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7355219 0.75 PDE4D (0.49) KAT2BBAZ2BALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466820-B2 Amino quinazoline derivatives as P2X3 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-11-11 — — US disclosed
CN-113891745-B As P2X3Aminoquinazoline derivatives of inhibitors 奇斯药制品公司 2024-05-07 — — CN disclosed
US-20220227749-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHARLES RIVER LABORATORIES, INC. 2022-07-21 — — US disclosed
EP-3976180-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2022-04-06 — — EP disclosed
CN-113891745-A As P2X3Aminoquinazoline derivatives as inhibitors 奇斯药制品公司 2022-01-04 — — CN disclosed
WO-2020239952-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-03 — — WO disclosed
WO-2020239952-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-03 — — WO disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 — — EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 — — WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 — — WO 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KAT2B 906/4885BAZ2B 2722/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KAT2B 906/4885BAZ2B 2722/4885ALDH1A1 1098/4885
US-20220227749-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 KAT2B 4842/4885BAZ2B 2725/4885ALDH1A1 1918/4885
US-12466820-B2 Amino quinazoline derivatives as P2X3 inhibitors P2RX3, P2RX5, P2RX1 KAT2B 4842/4885BAZ2B 2725/4885ALDH1A1 1918/4885

“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.