SCHEMBL24022835

SCHEMBL24022835

CC(=O)Nc1ccc(-c2nncnn2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ MAPT P10636 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KIF11 P52732 3/20 0.42
▸ ABCB1 P08183 6/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP17A1 P05093 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ MOK Q9UQ07 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL21994271 0.87 ABCB1 (0.44) POLBKIF11ABCB1SMN1; SMN2ABCC1
SCHEMBL24022840 0.82 CA1 (0.48) HDAC1HDAC6CA1CA2CA9
SCHEMBL29583356 0.81 CYP17A1 (0.59) KIF11ABCB1CYP17A1ABCC1
SCHEMBL22147523 0.77 FAAH (0.40) HDAC6MAPTKIF11KDM4E
SCHEMBL22043784 0.73 NPC1 (0.43) CA1CA2CA9MAPTNPC1
SCHEMBL24022756 0.73 GAA (0.46) HDAC6GAAMAPK1
SCHEMBL6106476 0.73 HDAC1 (0.73) HDAC1HDAC6CA1CA2CA9
SCHEMBL29808947 0.73 HDAC1 (0.73) HDAC1HDAC6CA1CA2CA9
SCHEMBL21356902 0.72 HDAC4 (0.60) HDAC1HDAC6
SCHEMBL6694651 0.72 SMN1; SMN2 (0.67) HDAC1HDAC6CA1CA2CA9

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
US-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2022-04-21 — — US disclosed
WO-2021228992-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET (DK) 2021-11-18 — — WO disclosed
EP-3909944-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY Rigshospitalet (DK) 2021-11-17 — — EP 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-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING RTN3, RXFP3, TAAR5 HDAC1 1603/4885HDAC6 1726/4885CA1 4025/4885

“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.

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