SCHEMBL353106

SCHEMBL353106

Cc1nccc(C(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ASPH Q12797 1/20 0.47
KDM8 Q8N371 1/20 0.47
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL6628065 0.83 SMN1; SMN2 (0.45) KDM4EASPHKDM8RAB9AALDH1A1
SCHEMBL14335806 0.83 KDM4E (0.52) KDM4EASPHKDM8GABRPGABRD
SCHEMBL31633613 0.81 KDM4E (0.50) KDM4EASPHKDM8GABRPGABRD
SCHEMBL353138 0.81 SIRT3 (0.46) KDM4ETDP1L3MBTL1RAB9AALDH1A1
SCHEMBL2221901 0.81 KDM4E (0.48) KDM4EASPHKDM8GABRPGABRD
SCHEMBL1767848 0.81 KDM4E (0.46) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL19857487 0.81 KDM4E (0.60) KDM4EASPHKDM8TDP1L3MBTL1
SCHEMBL5780556 0.81 KDM4E (0.50) KDM4EASPHKDM8GABRPGABRD
SCHEMBL9908479 0.79 KDM4E (0.63) KDM4EASPHKDM8GABRPGABRD
SCHEMBL8098266 0.79 SMN1; SMN2 (0.46) KDM4EASPHKDM8GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024041440-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-02-29 WO disclosed
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN disclosed
CN-114829362-A Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatom and used as SHP2 inhibitor 成都倍特药业股份有限公司 2022-07-29 CN disclosed
WO-2021147974-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-07-29 WO disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 WO disclosed
CN-109923116-A [1,2,4] triazol [1,5-A] pyrimidine derivatives as PDE2 inhibitor 詹森药业有限公司 2019-06-21 CN disclosed
WO-2018149419-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2018-08-23 WO disclosed
US-9902858-B2 Nonlinear optical dye, photorefractive material composition, photorefractive substrate and hologram recording medium TOYO KOHAN CO., LTD. (JP) 2018-02-27 US disclosed
US-8293763-B2 8-anilinoimidazopyridines and their use as anti-cancer and/or anti-inflammatory agents GENENTECH, INC. (US) 2012-10-23 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20100280063-A1 8-ANILINOIMIDAZOPYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS GENENTECH, INC. 2010-11-04 US disclosed
EP-0659078-B1 ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM UNIV FLORIDA (US) 2003-01-15 EP disclosed
US-5741802-A FOR TREATMENT OF MEMORY LOSS UNIVERSITY OF FLORIDA (US) 1998-04-21 US disclosed
EP-0659078-A4 ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM. UNIV FLORIDA (US) 1996-04-24 EP disclosed
EP-0659078-A1 ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1995-06-28 EP disclosed
WO-1994005288-A1 ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM UNIVERSITY OF FLORIDA (US) 1994-03-17 WO disclosed
EP-0533130-A1 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA KDM4E 1862/4885ASPH 706/4885KDM8 613/4885
US-20100280063-A1 8-ANILINOIMIDAZOPYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS MAP3K8, MAPK8, MAP3K1 KDM4E 1127/4885ASPH 1094/4885KDM8 431/4885

“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.