SCHEMBL22073032

SCHEMBL22073032

C=CC(C(=O)Nc1cccc2cccnc12)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
POLB P06746 2/20 0.59
MAPT P10636 5/20 0.54
TP53 P04637 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.52
CASP3 P42574 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
RECQL P46063 1/20 0.52
SLC40A1 Q9NP59 1/20 0.52
KDR P35968 2/20 0.51
MAPK1 P28482 1/20 0.50
MECP2 P51608 1/20 0.50
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 2/20 0.49

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
SCHEMBL30631846 1.00 TDP1 (0.59) TDP1POLBMAPTTP53MEN1
SCHEMBL30500763 0.87 TDP1 (0.62) TDP1POLBMAPTTP53MEN1
SCHEMBL22072296 0.87 TDP1 (0.62) TDP1POLBMAPTTP53MEN1
SCHEMBL30631849 0.86 POLB (0.55) TDP1POLBMAPTTP53MEN1
SCHEMBL29152858 0.82 SLC40A1 (0.70) TDP1POLBMAPTTP53MEN1
SCHEMBL22073021 0.81 POLB (0.58) TDP1POLBMAPTTP53MEN1
SCHEMBL30631865 0.81 POLB (0.58) TDP1POLBMAPTTP53MEN1
SCHEMBL30434501 0.81 TDP1 (0.58) TDP1POLBMAPTTP53MEN1
SCHEMBL28601254 0.81 TDP1 (0.58) TDP1POLBMAPTTP53MEN1
SCHEMBL31411228 0.81 KMT2A (0.39) TDP1POLBMAPTTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126135-A Synthesis method of 3, 4-diaminobutyric acid derivative 常州大学 2023-11-28 CN disclosed
US-20210276986-A1 METHOD FOR PREPARING BETA-LACTAM DERIVATIVE SOOCHOW UNIVERSITY (CN) 2021-09-09 US disclosed
WO-2020114025-A1 PREPARATION METHOD FOR β-LACTAM DERIVATIVES 苏州大学 2020-06-11 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 (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-20210276986-A1 METHOD FOR PREPARING BETA-LACTAM DERIVATIVE TBCB, QDPR, UBE2B TDP1 2769/4885POLB 249/4885MAPT 1936/4885

“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.