SCHEMBL31370596

SCHEMBL31370596

BrCc1cn(CC2CC2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CNR1 P21554 6/20 0.43
CNR2 P34972 5/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41

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
SCHEMBL13949764 0.84 CNR1 (0.48) PADI4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8758736 0.81 HTR2A (0.54) PADI4HDAC3HDAC4HDAC1HDAC7
SCHEMBL28365671 0.79 CDC25A (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23259137 0.77 PDE4A (0.48) PADI4HDAC3HDAC4HDAC1HDAC7
SCHEMBL31230200 0.77 MEN1 (0.49) PADI4HDAC1HDAC2HDAC8HDAC6
SCHEMBL17553833 0.77 PDE4A (0.46) PADI4CNR1CNR2PDE4APDE4B
SCHEMBL19117682 0.77 CNR1 (0.48) PADI4HDAC3HDAC4HDAC1HDAC7
SCHEMBL21600842 0.77 MEN1 (0.49) PADI4HDAC1HDAC2HDAC8HDAC6
SCHEMBL31369755 0.75 MAPT (0.60) PADI4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8758743 0.74 CNR1 (0.44) PADI4CNR1CNR2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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 (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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 PADI4 3430/4885HDAC3 4022/4885HDAC4 4386/4885

“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.