SCHEMBL25034752

SCHEMBL25034752

COc1ccc(Br)cc1NCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.58
TDP1 Q9NUW8 2/20 0.51
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 4/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRK6 P43250 1/20 0.42

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
SCHEMBL30475496 1.00 APEX1 (0.58) APEX1TDP1HDAC1HDAC8HDAC6
SCHEMBL31630913 0.90 KDM4E (0.47) APEX1TDP1HDAC1HDAC8HDAC6
SCHEMBL25033933 0.88 APEX1 (0.62) APEX1TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8198934 0.85 APEX1 (0.56) APEX1TDP1HDAC1HDAC8HDAC6
SCHEMBL1520429 0.84 TDP1 (0.72) TDP1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL21408921 0.82 HDAC1 (0.54) TDP1HDAC1HDAC8HDAC6MAPT
SCHEMBL29721118 0.82 HDAC1 (0.54) TDP1HDAC1HDAC8HDAC6MAPT
Hydrochloric Acid SCHEMBL9404882 0.81 TDP1 (0.50) APEX1TDP1HDAC1HDAC8HDAC6
SCHEMBL25031090 0.81 POLB (0.60) TDP1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL7526020 0.80 SMN1; SMN2 (0.45) TDP1HDAC1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 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-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 APEX1 714/4885TDP1 414/4885HDAC1 989/4885

“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.