SCHEMBL21404485

SCHEMBL21404485

O=C(O)C=Cc1ncc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
FGFR4 P22455 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL21404483 1.00 ALDH1A1 (0.42) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL21432439 0.82 ALDH1A1 (0.48) ALDH1A1HPGDCYP3A4TSHRTDP1
SCHEMBL19712001 0.80 ALDH1A1 (0.49) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL5717499 0.77 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4MAPTCYP2C9
SCHEMBL30365191 0.76 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL29060193 0.76 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL573358 0.73 ALDH1A1 (0.51) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL573797 0.72 MAPT (0.44) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL573796 0.72 MAPT (0.44) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL3370460 0.72 ALDH1A1 (0.53) ALDH1A1HPGDCYP3A4TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112165944-B Imidazopiperazine inhibitors of transcriptional activator proteins 德州大学系统董事会 2024-04-09 CN disclosed
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
US-10899769-B2 Imidazopiperazinone inhibitors of transcription activating proteins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-01-26 US disclosed
WO-2019195846-A1 IMIDAZOPIPERAZINONE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-10 WO disclosed
US-20190308978-A1 IMIDAZOPIPERAZINONE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-10-10 US 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 (5 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 ALDH1A1 3232/4885HPGD 1994/4885CYP3A4 4721/4885
US-20230008047-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 ALDH1A1 3232/4885HPGD 1994/4885CYP3A4 4721/4885
US-10899769-B2 Imidazopiperazinone inhibitors of transcription activating proteins EP300, CREBBP, RBBP4 ALDH1A1 3128/4885HPGD 1856/4885CYP3A4 4616/4885
US-20190308978-A1 IMIDAZOPIPERAZINONE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP4 ALDH1A1 3128/4885HPGD 1856/4885CYP3A4 4616/4885
US-20190298729-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 ALDH1A1 3232/4885HPGD 1994/4885CYP3A4 4721/4885

“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.