SCHEMBL3208731

SCHEMBL3208731

O=C(O)c1nnc(C(=O)O)nn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
P4HA1 P13674 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 3/20 0.32
NAPRT Q6XQN6 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HIF1A Q16665 1/20 0.30
DAO P14920 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL13018082 0.84 NOTUM (0.33) KDM4EHCAR2DAOALDH1A1
SCHEMBL3709102 0.84 PDPK1 (0.36) KDM4EALDH1A1CYP1A2
SCHEMBL5361736 0.82
SCHEMBL21257121 0.82 TSHR (0.33) TSHRP4HA1P4HTMTP53ALOX15
SCHEMBL21257031 0.82 TSHR (0.33) TSHRP4HA1P4HTMTP53ALOX15
SCHEMBL1220609 0.78 ALDH1A1 (0.47) TSHRTP53KDM4ETDP1CA1
SCHEMBL21257118 0.78 NPC1 (0.36) TSHRP4HA1P4HTMTP53ALOX15
SCHEMBL14338421 0.78 KMO (0.32) DAO
SCHEMBL11655407 0.77
SCHEMBL1146219 0.75 TSHR (0.38) TSHRTP53ALOX15NAPRTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206560-A Lipoic acid derivative containing pyridazino indole structure, and preparation method and application thereof 浙江中医药大学 2024-06-18 CN claimed
CN-117797875-A Preparation method of zirconium-based metal organic framework-based photocatalytic material and light stability research method thereof 中国科学技术大学 2024-04-02 CN claimed
CN-118206560-A Lipoic acid derivative containing pyridazino indole structure, and preparation method and application thereof 浙江中医药大学 2024-06-18 CN disclosed
CN-118206560-A Lipoic acid derivative containing pyridazino indole structure, and preparation method and application thereof 浙江中医药大学 2024-06-18 CN disclosed
CN-117797875-A Preparation method of zirconium-based metal organic framework-based photocatalytic material and light stability research method thereof 中国科学技术大学 2024-04-02 CN disclosed
EP-3562487-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2023-11-29 EP disclosed
WO-2023170174-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
US-11325925-B2 Dihydropyridazine antioxidant sunscreens ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-05-10 US disclosed
CN-110760030-B Preparation method and application of hydrophobic material based on nanoparticles 江苏慧智新材料科技有限公司 2021-06-29 CN disclosed
US-10850258-B2 Modified porous composite structure, method for manufacturing the same and method for absorbing organic liquid CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2020-12-01 US disclosed
US-10850258-B2 Modified porous composite structure, method for manufacturing the same and method for absorbing organic liquid CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2020-12-01 US disclosed
CN-101925660-A Organosilane coating composition and use thereof DUBLIN INST OF TECHNOLOGY 2010-12-22 CN disclosed
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 US disclosed
WO-2010006096-A1 PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 WO disclosed
WO-2009069111-A2 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECHNOLOGY (IE) 2009-06-04 WO disclosed
EP-0014792-B1 TETRAHYDRO-2H-BENZO(C)PYRROLES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE COMPOUNDS FOR USE AS THERAPEUTICALS ELI LILLY AND COMPANY (US) 1982-12-01 EP disclosed
US-4264622-A TREATMENT OF PARKINSON*S DISEASE ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
US-4235776-A USED FOR TREATMENT OF PARKINSON'S DISEASE, PROLACTIN INHIBITORS, AND DOPAMINE AGONISTS ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
EP-0014792-A1 Tetrahydro-2H-benzo(c)pyrroles, their preparation, pharmaceutical compositions containing them and the compounds for use as therapeuticals ELI LILLY AND COMPANY (US) 1980-09-03 EP 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 (2 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-11325925-B2 Dihydropyridazine antioxidant sunscreens QDPR, DLD, DPYD TSHR 4867/4885P4HA1 208/4885P4HTM 264/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 TSHR 4860/4885P4HA1 2132/4885P4HTM 3841/4885

“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.