SCHEMBL498053

SCHEMBL498053

COC(=O)c1n[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
STAT3 P40763 1/20 1.00
HIF1A Q16665 1/20 1.00
FLT3 P36888 3/20 0.66
YTHDC1 Q96MU7 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 4/20 0.59
CDK2 P24941 2/20 0.59
ALDH1A1 P00352 4/20 0.59
RAB9A P51151 3/20 0.58
CCNA2 P20248 1/20 0.58
CCNA1 P78396 1/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57

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
SCHEMBL29805260 1.00 KDM4E (1.00) KDM4ESTAT3HIF1AFLT3YTHDC1
SCHEMBL14268188 0.83 KDM4E (0.71) KDM4ESTAT3HIF1AFLT3YTHDC1
SCHEMBL25380488 0.83 KDM4E (0.71) KDM4ESTAT3HIF1AFLT3YTHDC1
SCHEMBL11485891 0.83 KDM4E (0.71) KDM4ESTAT3HIF1AFLT3YTHDC1
SCHEMBL29709972 0.82 KDM4E (1.00) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL5435670 0.82 KDM4E (0.69) KDM4ESTAT3HIF1AFLT3YTHDC1
SCHEMBL959364 0.82 KDM4E (1.00) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL638166 0.81 POLB (0.70) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL21449273 0.81 KDM4E (0.68) KDM4ESTAT3HIF1AFLT3YTHDC1
SCHEMBL4464792 0.81 KDM4E (0.68) KDM4ESTAT3HIF1AFLT3YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122080068-A Mitochondria-targeted lonidamine and cinnamaldehyde coupled prodrug as well as preparation method and application thereof 2026-05-26 CN claimed
CN-113929627-A Synthetic method of bindarit 吕梁学院 2022-01-14 CN claimed
CN-110003187-B Polyfluoroalkyl substituted benzofuran compound and preparation method thereof 南京工业大学 2021-11-05 CN claimed
CN-110003187-A Polyfluoroalkyl substituted benzofuran compound and preparation method thereof 南京工业大学 2019-07-12 CN claimed
CN-122079973-A Fatty nitroamine deamination functionalization process 2026-05-26 CN disclosed
CN-122080068-A Mitochondria-targeted lonidamine and cinnamaldehyde coupled prodrug as well as preparation method and application thereof 2026-05-26 CN disclosed
CN-122059947-A Deamination functionalization method of fatty amine 国科大杭州高等研究院 2026-05-19 CN disclosed
CN-117177975-B Pyrimido [5,4, D ] pyrimidine compounds, compositions comprising the same and uses thereof 蒙特利尔大学 2026-05-19 CN disclosed
CN-122036679-A Preparation method and application of indazole carboxylic acid 广东大丰植保科技有限公司 2026-05-15 CN disclosed
CN-122036615-A Indazole hydrazide compound and preparation method and application thereof 南京农业大学 2026-05-15 CN disclosed
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
CN-1222153-A Piperidine acetic acid derivatives and their use in the treatment of thrombotic disorders GLAXO GROUP LTD (GB) 1999-07-07 CN disclosed
EP-0912555-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1997049699-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-31 WO disclosed
WO-1997049698-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-31 WO disclosed
WO-1997023480-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 WO disclosed
US-5331006-A Cholecystokinin, antisecretory agents WARNER-LAMBERT COMPANY (US) 1994-07-19 US disclosed
US-5137895-A Antiemetic, anxiolytic, gastric emptying and serotonin modulating activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-08-11 US disclosed
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 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 (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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 KDM4E 2717/4885STAT3 3254/4885HIF1A 1709/4885
US-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 KDM4E 3458/4885STAT3 4643/4885HIF1A 2157/4885

“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.