SCHEMBL22720204

SCHEMBL22720204

N#CSN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MC4R P32245 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.39
CASP3 P42574 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
DRD3 P35462 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3848372 0.79 MAPT (0.50) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL31490022 0.79 MAPT (0.50) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL29016389 0.78 ALDH1A1 (0.43) PIM1ALDH1A1MAPTPKMHPGD
SCHEMBL2330083 0.74 MAPT (0.50) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL31314863 0.74 MAPT (0.50) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL29845994 0.72 DRD3 (0.45) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL919534 0.72 DRD3 (0.45) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL30872008 0.71 CASP3 (0.48) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL809458 0.71 CASP3 (0.48) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL4590265 0.71 ALDH1A1 (0.44) ALDH1A1MAPTPKMHPGDALOX15

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
CN-110204468-B Asymmetric synthesis method of chiral alpha-thiocyano cyclic ketonic acid ester compound 浙江工业大学 2021-02-02 CN claimed
US-12545651-B2 Diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2026-02-10 US disclosed
CN-116535341-B Method for synthesizing alpha-thiocyano-beta-dicarbonyl compounds by utilizing photocatalytic oxidation strategy 新乡医学院 2025-01-28 CN disclosed
CN-115894329-A Synthesis method of axial chiral indole derivative containing 2-thiocyano-3-aryl 泽升科技(广州)有限公司 2023-04-04 CN disclosed
CN-114835625-A Synthesis method of axial chiral indole derivative containing 2-thiocyano-3-aryl 泽升科技(广州)有限公司 2022-08-02 CN disclosed
US-20220227719-A1 A diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2022-07-21 US disclosed
CN-110229114-B Remove C2-toSymmetric diphenylamine type chiral bisoxazoline ligand and synthetic method and application thereof 浙江工业大学 2021-07-27 CN disclosed
CN-110204468-B Asymmetric synthesis method of chiral alpha-thiocyano cyclic ketonic acid ester compound 浙江工业大学 2021-02-02 CN disclosed
CN-110204468-B Asymmetric synthesis method of chiral alpha-thiocyano cyclic ketonic acid ester compound 浙江工业大学 2021-02-02 CN disclosed
WO-2020238559-A1 DE-C2-SYMMETRIC DIPHENYLAMINE-TYPE CHIRAL BISOXAZOLINE LIGAND, SYNTHESIS METHOD THEREFOR AND USE THEREOF 浙江工业大学 2020-12-03 WO 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-20220227719-A1 A diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof AOC1, AOC2, AOC3 PIM1 4803/4885ALDH1A1 197/4885MAPT 3073/4885
US-12545651-B2 Diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof AOC2, AOC1, AOC3 PIM1 4185/4885ALDH1A1 318/4885MAPT 3032/4885

“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.