SCHEMBL29417367

SCHEMBL29417367

O=C1Nc2c(Cl)cccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 1.00
DAO P14920 2/20 1.00
NSD2 O96028 1/20 1.00
BCHE P06276 1/20 1.00
DNMT1 P26358 1/20 0.55
LIG1 P18858 1/20 0.55
TGM2 P21980 2/20 0.54
CASP3 P42574 1/20 0.48
CASP2 P42575 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
AHR P35869 1/20 0.44

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
SCHEMBL1247382 1.00 CES1 (1.00) CES1DAONSD2BCHEDNMT1
Methane SCHEMBL28522370 0.98 CES1 (0.96) CES1DAONSD2BCHEDNMT1
SCHEMBL25112387 0.87 CES1 (0.77) CES1DAONSD2BCHEDNMT1
SCHEMBL28552839 0.83 CES1 (0.71) CES1DAONSD2BCHEDNMT1
SCHEMBL19855787 0.83 CES1 (0.71) CES1DAONSD2BCHEDNMT1
SCHEMBL5988948 0.76 CES1 (0.61) CES1DAONSD2BCHEDNMT1
SCHEMBL11530748 0.76 CES1 (0.61) CES1DAONSD2BCHEDNMT1
SCHEMBL505703 0.75 CES1 (0.60) CES1DAONSD2BCHEDNMT1
SCHEMBL6845708 0.75 CES1 (0.60) CES1DAONSD2BCHEDNMT1
SCHEMBL3088689 0.75 DAO (1.00) CES1DAONSD2BCHELIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187233-B Polysubstituted benzothiazole and derivative and synthesis method thereof 湘潭大学 2023-05-30 CN claimed
CN-115974759-B Compound with antibacterial use 中国医学科学院药物研究所 2025-06-17 CN disclosed
US-20230234937-A1 INDENOAZANAPHTHALENES MERCK PATENT GMBH (DE) 2023-07-27 US disclosed
CN-111511719-B Novel quinoline compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
CN-111187233-B Polysubstituted benzothiazole and derivative and synthesis method thereof 湘潭大学 2023-05-30 CN disclosed
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 US disclosed
CN-114728998-A Sulfonamide compounds targeting CD73 and adenosine receptors 奥瑞基尼探索技术有限公司 2022-07-08 CN disclosed
EP-4021895-A1 NOVEL QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2022-07-06 EP disclosed
CN-114502538-A Substituted 3, 4-dihydroquinazolines for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2022-05-13 CN disclosed
CN-110964018-B Indole derivative and application thereof 华侨大学 2022-03-11 CN disclosed
CN-114144401-A Novel quinazoline compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2022-03-04 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 (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-20230234937-A1 INDENOAZANAPHTHALENES NQO1, CYP2D6, SQOR CES1 1660/4885DAO 1351/4885NSD2 1823/4885
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT CES1 217/4885DAO 1701/4885NSD2 4250/4885

“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.