SCHEMBL21404585

SCHEMBL21404585

O=C(O)NCCn1cnc(I)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.34
CPB1 P15086 1/20 0.34
QPCT Q16769 3/20 0.33
KDM5A P29375 3/20 0.32
KDM5B Q9UGL1 3/20 0.32
TAAR1 Q96RJ0 1/20 0.31
KDM2B Q8NHM5 1/20 0.30
ALPL P05186 1/20 0.30
PLAA Q9Y263 1/20 0.30

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
SCHEMBL18886405 0.84 SMN1; SMN2 (0.37) CPB2CPB1QPCTKDM2B
SCHEMBL584619 0.78 CA12 (0.41)
SCHEMBL2841442 0.75 PDE10A (0.46) KDM5AKDM5B
SCHEMBL23320277 0.75 TBXAS1 (0.42) CPB2CPB1
SCHEMBL4900683 0.74 CPB2 (0.34) CPB2CPB1KDM5AKDM5B
SCHEMBL16828766 0.73 ALDH1A1 (0.42) TAAR1ALPLPLAA
SCHEMBL31285260 0.72
SCHEMBL12229237 0.71 CPB2 (0.32) CPB2CPB1KDM5AKDM5B
SCHEMBL20566564 0.71 ALPL (0.43) CPB2QPCTALPLPLAA
SCHEMBL21404432 0.70 CREBBP (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008047-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-01-12 US disclosed
US-11058688-B2 Imidazopiperazine inhibitors of transcription activating proteins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-07-13 US disclosed
EP-3773587-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS Board of Regents, The University of Texas System (US) 2021-02-17 EP disclosed
WO-2019191667-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-03 WO disclosed
US-20190298729-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-10-03 US 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 (3 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-11058688-B2 Imidazopiperazine inhibitors of transcription activating proteins EP300, CREBBP, RBBP7 CPB2 2372/4885CPB1 2392/4885QPCT 2834/4885
US-20230008047-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 CPB2 2372/4885CPB1 2392/4885QPCT 2834/4885
US-20190298729-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 CPB2 2372/4885CPB1 2392/4885QPCT 2834/4885

“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.