SCHEMBL9293443

SCHEMBL9293443

COc1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 1.00
RAB9A P51151 11/20 1.00
KDM4E B2RXH2 8/20 1.00
PKM P14618 5/20 1.00
EPHX2 P34913 1/20 1.00
ALDH1A1 P00352 5/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
MAPK1 P28482 2/20 0.72
ALDH1A3 P47895 3/20 0.69
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
HPGD P15428 2/20 0.67
ADRB2 P07550 1/20 0.67
TP53 P04637 1/20 0.66
TSHR P16473 1/20 0.66
HSD17B10 Q99714 1/20 0.66
POLB P06746 2/20 0.65
TLR9 Q9NR96 3/20 0.64
TLR7 Q9NYK1 2/20 0.63

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
SCHEMBL12848768 0.88 NPC1 (0.78) NPC1RAB9AKDM4EPKMEPHX2
SCHEMBL13325926 0.87 RAB9A (0.77) NPC1RAB9AKDM4EPKMEPHX2
SCHEMBL13325909 0.87 RAB9A (0.83) NPC1RAB9AKDM4EPKMEPHX2
SCHEMBL13325938 0.85 RAB9A (0.80) NPC1RAB9AKDM4EPKMEPHX2
SCHEMBL12797442 0.84 RAB9A (0.73) NPC1RAB9AKDM4EPKMEPHX2
SCHEMBL13325732 0.84 RAB9A (1.00) NPC1RAB9AKDM4EPKMEPHX2
SCHEMBL6389098 0.84 KDM4E (0.72) NPC1RAB9AKDM4EPKMEPHX2
SCHEMBL1494815 0.83 KDM4E (0.74) NPC1RAB9AKDM4EPKMEPHX2
SCHEMBL6388717 0.82 RAB9A (0.71) NPC1RAB9AKDM4EPKMEPHX2
SCHEMBL13325773 0.82 ALDH1A3 (1.00) NPC1RAB9AKDM4EPKMEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812530-A Method for preparing imidazole pyridine compound by catalyzing lignin and model compound by Pd/C bi-component system 中国科学院大连化学物理研究所 2024-10-22 CN claimed
CN-115043837-B Synthesis method and application of 4-imidazo-pyridinyl-thio-isoquinoline heterocyclic compound 河南工业大学 2024-02-20 CN claimed
CN-115043837-A Synthesis method and application of 4-imidazopyridinylthioisoquinoline heterocyclic compound 河南工业大学 2022-09-13 CN claimed
CN-118852157-A Preparation method and application of imidazopyridine compound 南昌大学 2024-10-29 CN disclosed
CN-118812530-A Method for preparing imidazole pyridine compound by catalyzing lignin and model compound by Pd/C bi-component system 中国科学院大连化学物理研究所 2024-10-22 CN disclosed
EP-3962915-B1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-09-04 EP disclosed
CN-115043837-B Synthesis method and application of 4-imidazo-pyridinyl-thio-isoquinoline heterocyclic compound 河南工业大学 2024-02-20 CN disclosed
WO-2023142128-A1 METHOD FOR SYNTHESIZING 2-PHENYL-5-BENZYL-IMIDAZO[1,2-A]PYRIDINE COMPOUND 苏州大学 2023-08-03 WO disclosed
CN-115043837-A Synthesis method and application of 4-imidazopyridinylthioisoquinoline heterocyclic compound 河南工业大学 2022-09-13 CN disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 US disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 US disclosed
EP-0411754-A2 Medicament for the inhibition of interleukin-1 or tumor necrosis factor production by monocytes and/or macrophages SMITHKLINE BEECHAM CORPORATION (US) 1991-02-06 EP disclosed
WO-1991000092-A1 INHIBITION OF INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BEECHAM CORPORATION (US) 1991-01-10 WO disclosed
US-4242513-A CHROMOGENS; PRESSURE AND HEAT SENSITIVE MARKING APPLETON PAPERS INC. (US) 1980-12-30 US disclosed
US-4163745-A ANTIDIABETIC, HYPOGLYCEMIC PFIZER INC. (US) 1979-08-07 US disclosed
US-4141898-A Imidazo pyridinium quaternary salts as hypoglycemic agents PFIZER INC. (US) 1979-02-27 US disclosed
US-4129567-A IMIDAZOPYRIDINES AND ISOB IDINE PFIZER INC. (US) 1978-12-12 US disclosed
US-4097598-A Quaternary salts as hypoglycemic agents PFIZER INC. (US) 1978-06-27 US disclosed
US-4093616-A PYRROLO(1,2-A)PYRAZINIUM, PYRAZOLO(1,5-A)PYRIDINIUM, 1H-IMIDAZO(2,1-A)ISOQUINOLINIUM, OR IMIDAZO(5,1-A)ISOQUINOLINIUM SALTS PFIZER INC. (US) 1978-06-06 US disclosed
US-4044015-A Imidazopyridinium compounds as hypoglycemic agents PFIZER INC. (US) 1977-08-23 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 (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-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 NPC1 366/4885RAB9A 4268/4885KDM4E 4721/4885

“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.