SCHEMBL22041544

SCHEMBL22041544

C=CCC(=O)Nc1cccc2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.69
POLB P06746 2/20 0.66
HTT P42858 1/20 0.63
HDAC6 Q9UBN7 4/20 0.60
HDAC3 O15379 3/20 0.60
HDAC4 P56524 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
LMNA P02545 3/20 0.59
ALDH1A1 P00352 1/20 0.59
KDM4E B2RXH2 1/20 0.58
RECQL P46063 1/20 0.58
MAPT P10636 3/20 0.57
MEN1 O00255 3/20 0.57

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
SCHEMBL29763591 1.00 TDP1 (0.69) TDP1POLBHTTHDAC6HDAC3
SCHEMBL28343328 0.87 POLB (0.69) TDP1POLBHTTHDAC6HDAC3
SCHEMBL28340849 0.87 POLB (0.68) TDP1POLBHTTHDAC6HDAC3
SCHEMBL1753903 0.86 TDP1 (0.79) TDP1POLBHTTHDAC6HDAC3
SCHEMBL28340810 0.85 POLB (0.65) TDP1POLBHTTHDAC6HDAC3
SCHEMBL28340811 0.85 POLB (0.65) TDP1POLBHTTHDAC6HDAC3
SCHEMBL9464627 0.84 POLB (0.88) TDP1POLBHTTHDAC6HDAC3
SCHEMBL19329990 0.84 TDP1 (0.60) TDP1POLBHTTHDAC6HDAC3
SCHEMBL30942024 0.83 POLB (0.67) TDP1POLBHTTHDAC6HDAC3
SCHEMBL22072359 0.83 POLB (0.67) TDP1POLBHTTHDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478195-A Method for synthesizing 1, 2-triboroalkane 南京工业大学 2023-07-25 CN claimed
CN-113121373-B Method for synthesizing chlorambucil 南京工业大学 2022-06-24 CN claimed
CN-113121373-A Method for synthesizing chlorambucil 南京工业大学 2021-07-16 CN claimed
US-11976060-B2 Method for preparing beta-lactam derivative SOOCHOW UNIVERSITY (CN) 2024-05-07 US disclosed
CN-117417253-A Method for preparing phenyl alkyl acid ester by alkyl olefin 常州大学 2024-01-19 CN disclosed
CN-116478195-A Method for synthesizing 1, 2-triboroalkane 南京工业大学 2023-07-25 CN disclosed
CN-113121373-B Method for synthesizing chlorambucil 南京工业大学 2022-06-24 CN disclosed
CN-113121373-B Method for synthesizing chlorambucil 南京工业大学 2022-06-24 CN disclosed
US-20210276986-A1 METHOD FOR PREPARING BETA-LACTAM DERIVATIVE SOOCHOW UNIVERSITY (CN) 2021-09-09 US disclosed
US-20210276986-A1 METHOD FOR PREPARING BETA-LACTAM DERIVATIVE SOOCHOW UNIVERSITY (CN) 2021-09-09 US disclosed
CN-113150018-A Four-coordination N, N-chelating monoaryl monofluoroborate compound and preparation method thereof 石河子大学 2021-07-23 CN disclosed
CN-113121373-A Method for synthesizing chlorambucil 南京工业大学 2021-07-16 CN disclosed
CN-113121373-A Method for synthesizing chlorambucil 南京工业大学 2021-07-16 CN disclosed
WO-2020114025-A1 PREPARATION METHOD FOR β-LACTAM DERIVATIVES 苏州大学 2020-06-11 WO disclosed
WO-2020114025-A1 PREPARATION METHOD FOR β-LACTAM DERIVATIVES 苏州大学 2020-06-11 WO disclosed
CN-109369629-B β -lactam derivatives and process for their preparation 苏州大学 2020-04-10 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-20210276986-A1 METHOD FOR PREPARING BETA-LACTAM DERIVATIVE TBCB, QDPR, UBE2B TDP1 2769/4885POLB 249/4885HTT 3974/4885
US-11976060-B2 Method for preparing beta-lactam derivative TBCB, QDPR, UBE2B TDP1 2769/4885POLB 249/4885HTT 3974/4885

“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.