SCHEMBL2161944

SCHEMBL2161944

ON=Cc1ccc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
HPGD P15428 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA1 Q13131 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
TOP2A P11388 1/20 0.53
LMNA P02545 6/20 0.52
PKM P14618 2/20 0.52
MAPT P10636 5/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ECE2 P0DPD6 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL5665680 1.00 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL2161942 1.00 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL10372230 0.80 NPC1 (0.67) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL9914145 0.80 RAB9A (0.67) NPC1RAB9AKDM4EALDH1A1CYP1A2
Water SCHEMBL10376517 0.78 NPC1 (0.65) NPC1RAB9AKDM4EALDH1A1CYP1A2
Water SCHEMBL10376519 0.78 NPC1 (0.65) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL4254487 0.78 NPC1 (0.65) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL4335201 0.78 NPC1 (0.65) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL4254489 0.78 NPC1 (0.65) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL31241393 0.77 ALDH1A1 (0.67) NPC1RAB9AKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527165-A4 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE DU PONT (US) 2006-06-07 EP claimed
EP-1527165-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. du Pont de Nemours and Company (US) 2005-05-04 EP claimed
US-20030215929-A1 Rhodococcus gene encoding aldoxime dehydratase E. I. DU PONT DE NEMOURS AND COMPANY 2003-11-20 US claimed
WO-2003078581-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-25 WO claimed
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-20260027102-A1 QUINOLYLNITRONE DERIVATIVES FOR USE IN THE PREVENTION AND/OR TREATMENT OF HEARING LOSS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2026-01-29 US disclosed
EP-4558144-A1 QUINOLYLNITRONE DERIVATIVES FOR USE IN THE PREVENTION AND/OR TREATMENT OF HEARING LOSS Consejo Superior De Investigaciones Científicas - CSIC (ES) 2025-05-28 EP disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
WO-2024018073-A1 QUINOLYLNITRONE DERIVATIVES FOR USE IN THE PREVENTION AND/OR TREATMENT OF HEARING LOSS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2024-01-25 WO disclosed
EP-4309655-A1 QUINOLYLNITRONE DERIVATIVES FOR USE IN THE PREVENTION AND/OR TREATMENT OF HEARING LOSS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2024-01-24 EP 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
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 US disclosed
US-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US disclosed
US-5703096-A ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1997-12-30 US disclosed
CN-1143639-A Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1997-02-26 CN disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP 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 (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-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
US-20260027102-A1 QUINOLYLNITRONE DERIVATIVES FOR USE IN THE PREVENTION AND/OR TREATMENT OF HEARING LOSS CYC1, MT-CO1, MT-ND1 NPC1 332/4885RAB9A 1868/4885KDM4E 3678/4885

“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.