SCHEMBL1012499

SCHEMBL1012499

NC(=O)c1cnc(N2CC3CN(C(=O)CCCOc4ccccc4)CC3C2)nc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.78
HDAC4 P56524 3/20 0.78
HDAC1 Q13547 3/20 0.78
HDAC7 Q8WUI4 3/20 0.78
HDAC2 Q92769 3/20 0.78
HDAC10 Q969S8 3/20 0.78
HDAC11 Q96DB2 3/20 0.78
HDAC8 Q9BY41 3/20 0.78
HDAC6 Q9UBN7 3/20 0.78
HDAC9 Q9UKV0 3/20 0.78
HDAC5 Q9UQL6 3/20 0.78
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL8252106 0.88 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012312 0.80 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3274539 0.74 RAB9A (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012518 0.73 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011644 0.69 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8253907 0.69 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1633480 0.67 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011281 0.67 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30423103 0.67 CHRNB2 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1010626 0.67 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2

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-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC4 7/4885HDAC1 1/4885

“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.