SCHEMBL3094768

SCHEMBL3094768

Cc1cc(N)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 1.00
CYP1A2 P05177 3/20 0.64
NCF1 P14598 3/20 0.55
PRMT5 O14744 1/20 0.55
NPFFR1 Q9GZQ6 1/20 0.54
NPFFR2 Q9Y5X5 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 2/20 0.52
NUDT1 P36639 1/20 0.52
KDM4E B2RXH2 4/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NOS3 P29474 3/20 0.51
NOS1 P29475 3/20 0.51
NOS2 P35228 3/20 0.51
GAA P10253 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
SCHEMBL89010 0.78 CYP1A2 (1.00) BACE1CYP1A2NCF1NPFFR1NPFFR2
SCHEMBL1088580 0.78 CYP1A2 (0.69) BACE1CYP1A2NCF1NPFFR1NPFFR2
SCHEMBL29690490 0.78 NCF1 (0.64) BACE1NCF1SMN1; SMN2RAB9AALDH1A1
SCHEMBL29502790 0.78 CYP1A2 (1.00) BACE1CYP1A2NCF1NPFFR1NPFFR2
SCHEMBL323374 0.78 NCF1 (0.64) BACE1NCF1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9724255 0.78 BACE1 (0.63) BACE1PRMT5SMN1; SMN2RAB9AMAPT
Hydrochloric Acid SCHEMBL11674460 0.77 CYP1A2 (0.96) BACE1CYP1A2NCF1NPFFR1NPFFR2
SCHEMBL26695128 0.76 BACE1 (0.61) BACE1CYP1A2NCF1SMN1; SMN2RAB9A
SCHEMBL7050208 0.76 BACE1 (0.61) BACE1CYP1A2NCF1SMN1; SMN2RAB9A
SCHEMBL31667822 0.75 BACE1 (0.60) BACE1CYP1A2NCF1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771456-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT Palumed SA (FR) 2007-04-11 EP claimed
US-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents PALUMED S.A. (FR) 2007-03-15 US claimed
WO-2006024741-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT PALUMED S.A. (FR) 2006-03-09 WO claimed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO claimed
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 CN disclosed
WO-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 WO disclosed
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 WO disclosed
CN-113651820-A Urea compounds for dual IDO and TDO inhibitors 正大天晴药业集团股份有限公司 2021-11-16 CN disclosed
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 EP disclosed
CN-110382500-B Urea compounds for dual IDO and TDO inhibitors 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
WO-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 WO disclosed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO disclosed
EP-0587499-B1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR (FR) 1998-04-29 EP disclosed
US-5395834-A Antiarthritic agents or cardiovascular disorders ADIR ET COMPAGNIE (FR) 1995-03-07 US disclosed
US-5393775-A Administering a (2-chromanyl)alkylcarboxylic acid for disorders connected with peroxidation processes ADIR ET COMPAGNIE (FR) 1995-02-28 US disclosed
US-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed
EP-0587499-A1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR ET COMPAGNIE (FR) 1994-03-16 EP disclosed
EP-0512899-A1 Benzopyran compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-11-11 EP disclosed
CN-87102669-A Fiberboard and manufacture method thereof 1987-12-30 CN 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 (1 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-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents QARS1, QPCT, QTRT2 BACE1 3067/4885CYP1A2 284/4885NCF1 3999/4885

“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.