SCHEMBL8719617

SCHEMBL8719617

ON=Cc1cc2ccccc2cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 1/20 0.48
PLAU P00749 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
PDPK1 O15530 1/20 0.44
HSP90AA1 P07900 1/20 0.43
P2RX7 Q99572 1/20 0.41
SLC2A1 P11166 1/20 0.41
ALOX15 P16050 3/20 0.39
GRM4 Q14833 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8719613 1.00 NPC1 (0.50) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL6356529 0.75 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1PLAU
SCHEMBL8150996 0.74 CYP1A2 (0.48) NPC1RAB9AKDM4EL3MBTL1PLAU
SCHEMBL2338713 0.74 CYP1A2 (0.48) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL29956635 0.74 CYP2A6 (0.48) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL1202061 0.74 CYP2A6 (0.48) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL28318632 0.72 CYP2A6 (0.47) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL27837846 0.72 PLAU (0.47) NPC1RAB9AKDM4EALDH1A1PLAU
SCHEMBL20569113 0.71 CYP1A2 (0.39) NPC1RAB9APLAUCYP1A2CYP2A6
SCHEMBL20569115 0.71 CYP1A2 (0.39) NPC1RAB9APLAUCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 US disclosed
US-4450270-A Dioximino cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1984-05-22 US disclosed
US-4402955-A ZWITTERIONS; GRAMNEGATIVE BACTERIA ELI LILLY AND COMPANY (US) 1983-09-06 US disclosed
US-4379787-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-04-12 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 (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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 NPC1 208/4885RAB9A 715/4885KDM4E 3458/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 NPC1 180/4885RAB9A 931/4885KDM4E 2004/4885

“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.