SCHEMBL23975137

SCHEMBL23975137

O=C(NCCCCCCNc1ccccc1)C1=CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.48
HDAC2 Q92769 4/20 0.45
HDAC4 P56524 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NAAA Q02083 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
ACHE P22303 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL28878920 0.77 CTSK (0.59) CTSKHDAC2HDAC4HDAC8HDAC6
SCHEMBL6692379 0.75 HDAC2 (0.58) CTSKHDAC2HDAC4HDAC8HDAC6
SCHEMBL28683804 0.75 HDAC6 (0.68) HDAC2HDAC4HDAC8HDAC6ALDH1A1
SCHEMBL29273743 0.75 EPHX1 (0.57) CTSKHDAC2HDAC4HDAC8HDAC6
SCHEMBL23975144 0.73 SMN1; SMN2 (0.46) CTSKHDAC2HDAC4HDAC8HDAC6
SCHEMBL19359627 0.73 CTSK (0.56) CTSKHDAC2HDAC4HDAC8HDAC6
SCHEMBL20155052 0.73 CTSK (0.56) CTSKHDAC2HDAC4HDAC8HDAC6
SCHEMBL10239618 0.73 CTSK (0.56) CTSKHDAC2HDAC4HDAC8HDAC6
SCHEMBL19359642 0.73 CTSK (0.56) CTSKHDAC2HDAC4HDAC8HDAC6
SCHEMBL19420692 0.69 EPHX1 (0.73) HDAC2HDAC4HDAC8HDAC6ALDH1A1

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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-04 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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN HAVCR2, CUL4A, PSMC3 CTSK 370/4885HDAC2 2236/4885HDAC4 1909/4885

“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.