SCHEMBL24915784

SCHEMBL24915784

NCCNC(=O)c1cscn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
MAOB P27338 2/20 0.51
KDM4E B2RXH2 2/20 0.47
MAP3K5 Q99683 1/20 0.43
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
PIM1 P11309 1/20 0.38
DPP4 P27487 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
Hydrochloric Acid SCHEMBL10709333 0.98 HDAC3 (0.52) HDAC3HDAC1MAOBKDM4EMAP3K5
Hydrochloric Acid SCHEMBL29810474 0.98 HDAC3 (0.52) HDAC3HDAC1MAOBKDM4EMAP3K5
SCHEMBL3337029 0.86 KDM4E (0.50) HDAC3HDAC1KDM4EMAP3K5HDAC6
SCHEMBL15296759 0.83 HDAC3 (0.54) HDAC3HDAC1MAOBKDM4EMAP3K5
SCHEMBL3338965 0.83 HDAC3 (0.53) HDAC3HDAC1KDM4EMAP3K5HDAC6
SCHEMBL10708899 0.83 KDM4E (0.52) HDAC3HDAC1KDM4EMAP3K5HDAC6
SCHEMBL29509654 0.83 MAP3K5 (0.50) HDAC3HDAC1KDM4EMAP3K5HDAC6
SCHEMBL10244671 0.80 KDM4E (0.52) HDAC3HDAC1KDM4EMAP3K5HDAC6
SCHEMBL4542700 0.80
SCHEMBL15296791 0.79 KDM4E (0.47) HDAC3HDAC1KDM4EMAP3K5HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 HDAC3 236/4885HDAC1 48/4885MAOB 4817/4885

“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.