SCHEMBL5064772

SCHEMBL5064772

O=C(O)/C=C\C(=O)OC(=O)CCC(=O)OC(=O)/C=C\C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.48
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 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
SCHEMBL9749521 1.00 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL29222103 0.98 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL27869371 0.93 HCAR2 (0.43) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL6150290 0.91 HCAR2 (0.45) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL15260447 0.91 HCAR2 (0.45) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL29148759 0.91 HCAR2 (0.45) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL27558800 0.89 HCAR2 (0.41) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL5681276 0.89 HCAR2 (0.44) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL28896894 0.87 ALDH1A1 (0.56) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL6403988 0.87 ALDH1A1 (0.56) HCAR2TSHRTP53EGLN1EGLN3

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032574-B1 INDOLO 2,1-b|QUINAZOLE-6,12-DIONE ANTIMALARIAL COMPOUNDS AND METHODS OF TREATING MALARIA THEREWITH US ARMY (US) 2007-06-13 EP claimed
US-20030191138-A1 Indolo[2,1-b] quinazole-6,12-dione antimalarial compounds and methods of treating malaria therewith UNITED STATES ARMY 2003-10-09 US claimed
US-6531487-B2 Water solubility; bioavailability THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2003-03-11 US claimed
US-20010034350-A1 Indolo[2,1-b] quinazole-6,12-dione antimalarial compounds and methods of treating malaria therewith UNITED STATES ARMY 2001-10-25 US claimed
US-6284772-B1 OR PRODRUG THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2001-09-04 US claimed
EP-1032574-A3 INDOLO 2,1-b]QUINAZOLE-6,12-DIONE ANTIMALARIAL COMPOUNDS AND METHODS OF TREATING MALARIA THEREWITH WRAIR (Walter Reed Army Institute of Research) (US) 2000-12-20 EP claimed
EP-1032574-A2 INDOLO 2,1-b]QUINAZOLE-6,12-DIONE ANTIMALARIAL COMPOUNDS AND METHODS OF TREATING MALARIA THEREWITH WRAIR (Walter Reed Army Institute of Research) (US) 2000-09-06 EP claimed
WO-2000018769-A2 INDOLO[2,1-b]QUINAZOLE-6,12-DIONE ANTIMALARIAL COMPOUNDS AND METHODS OF TREATING MALARIA THEREWITH WRAIR (WALTER REID ARMY INSTITUTE OF RESEARCH) (US) 2000-04-06 WO claimed
US-4060623-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US claimed
US-4038406-A 1,2,4-TRIAZOLE ANTIMYCOTIC COMPOSITIONS AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US claimed
US-4036966-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
US-4036967-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
CN-114790438-B Method for improving yield and oxidation resistance of antrodia camphorata extracellular polysaccharide 上海理工大学 2024-02-27 CN disclosed
CN-114790438-A Method for improving yield and oxidation resistance of antrodia camphorata exopolysaccharide 上海理工大学 2022-07-26 CN disclosed
US-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same FUJIFILM CORPORATION (JP) 2021-11-02 US disclosed
EP-3604301-B1 4-PYRIDONE COMPOUND OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION AND FORMULATION INCLUDING SAME FUJIFILM CORP (JP) 2021-09-22 EP disclosed
WO-1994012198-A1 INJECTABLE TAXOL COMPOSITION F.H. FAULDING & CO. LIMITED (AU) 1994-06-09 WO disclosed
WO-1990005523-A2 PHENANTHROLINEDICARBOXYLATE ESTERS, 4-AMINOQUINOLINE AND ISOQUINOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE THE UPJOHN COMPANY (US) 1990-05-31 WO disclosed
US-4880815-A GASTRIC JUICE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed
US-4686273-A Process for preparing modified poly(alkylene carbonate) polyahls THE DOW CHEMICAL COMPANY (US) 1987-08-11 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-20030191138-A1 Indolo[2,1-b] quinazole-6,12-dione antimalarial compounds and methods of treating malaria therewith HCCS, DAO, SCO2 HCAR2 549/4885TSHR 3389/4885TP53 3547/4885
US-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same HAVCR2, HBS1L, PHKB HCAR2 3148/4885TSHR 3112/4885TP53 666/4885
US-20010034350-A1 Indolo[2,1-b] quinazole-6,12-dione antimalarial compounds and methods of treating malaria therewith HCCS, DAO, SCO2 HCAR2 549/4885TSHR 3389/4885TP53 3547/4885

“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.