SCHEMBL8250337

SCHEMBL8250337

O=C(/C=C/c1cccc(-c2nc3ccccc3[nH]2)c1)NOC1CCCCO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.61
HDAC8 Q9BY41 6/20 0.61
HDAC6 Q9UBN7 6/20 0.61
MMP2 P08253 2/20 0.49
MMP13 P45452 2/20 0.49
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 4/20 0.46
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
HPGD P15428 3/20 0.44
PKM P14618 2/20 0.44
TP53 P04637 2/20 0.44
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 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
SCHEMBL5043996 1.00 HDAC1 (0.61) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL8322715 0.84 HDAC1 (0.63) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL8323900 0.83 HDAC1 (0.46) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL8324563 0.79 HDAC1 (0.63) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL8319740 0.79 HDAC1 (0.51) HDAC1HDAC8HDAC6KDM4EHDAC3
SCHEMBL8325183 0.78 HDAC1 (0.40) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL8326329 0.78 SMN1; SMN2 (0.43) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL8323979 0.78 SMN1; SMN2 (0.43) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL8324583 0.78 KMT2A (0.49) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL4258903 0.78 MGLL (0.46) HDAC1HDAC8HDAC6MMP2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381825-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2008-06-03 US disclosed
US-7375228-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2008-05-20 US disclosed
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US disclosed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 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-20040266769-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC8 10/4885HDAC6 11/4885

“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.