SCHEMBL4497271

SCHEMBL4497271

O=C(O)c1cnn(-c2ccccc2)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NR4A3 Q92570 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
KEAP1 Q14145 3/20 0.56
NFE2L2 Q16236 3/20 0.56
MAPK1 P28482 1/20 0.53
RIPK2 O43353 1/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK14 Q16539 1/20 0.50
SLC9A1 P19634 1/20 0.49
SLC9A2 Q9UBY0 1/20 0.49
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL15750441 0.89 LMNA (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3495891 0.85 KEAP1 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3545813 0.85 MAPT (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL7915015 0.85 MAPK14 (0.66) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3493556 0.83 KEAP1 (0.64) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2853100 0.81 POLB (0.64) ALDH1A1SMN1; SMN2L3MBTL1NR4A3POLB
Hydrochloric Acid SCHEMBL6311724 0.81 SLC9A1 (0.69) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4828987 0.79 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ASMN1; SMN2NR4A3
SCHEMBL9788264 0.79 CYP2C9 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL10998196 0.79 POLB (0.61) ALDH1A1SMN1; SMN2L3MBTL1NR4A3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240316017-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-09-26 US disclosed
US-20240300944-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-09-12 US disclosed
EP-4349826-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR LG Chem, Ltd. (KR) 2024-04-10 EP disclosed
EP-4339197-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR Lg Chem, Ltd. (KR) 2024-03-20 EP disclosed
CN-117500805-A Novel urea derivative compounds as RON inhibitors 株式会社LG化学 2024-02-02 CN disclosed
CN-117412958-A Novel pyridine derivative compounds as RON inhibitors 株式会社LG化学 2024-01-16 CN disclosed
WO-2022270977-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2022-12-29 WO disclosed
WO-2022270980-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2022-12-29 WO disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 ALDH1A1 2159/4885MEN1 4495/4885KMT2A 1216/4885
US-20240316017-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR RET, ROS1, MST1R ALDH1A1 4098/4885MEN1 1577/4885KMT2A 2876/4885
US-20240300944-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR CDKN1A, RET, UBTF ALDH1A1 4165/4885MEN1 1555/4885KMT2A 3163/4885

“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.