SCHEMBL17037192

SCHEMBL17037192

CN(C)c1ccc(-c2cn(CCCCO)nn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 18/20 0.67
HDAC6 Q9UBN7 18/20 0.67
HDAC3 O15379 16/20 0.67
HDAC4 P56524 16/20 0.67
HDAC1 Q13547 16/20 0.67
HDAC7 Q8WUI4 16/20 0.67
HDAC2 Q92769 16/20 0.67
HDAC10 Q969S8 16/20 0.67
HDAC11 Q96DB2 16/20 0.67
HDAC9 Q9UKV0 16/20 0.67
HDAC5 Q9UQL6 16/20 0.67
ESRRG P62508 1/20 0.46
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL17037203 0.86 HDAC6 (0.52) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL19535082 0.86 HDAC8 (0.62) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18625972 0.82 HDAC8 (0.58) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL17037191 0.82 HDAC3 (0.66) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL17037196 0.81 ALOX5 (0.53) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL17037206 0.81 HDAC3 (0.48) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL17040251 0.81 HDAC3 (0.68) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL17037208 0.80 HDAC8 (0.50) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL16264702 0.79 HDAC8 (0.54) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL21286389 0.79 HDAC8 (0.55) HDAC8HDAC6HDAC3HDAC4HDAC1

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-9376385-B2 Solid-phase supports and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-06-28 US disclosed
US-9376385-B2 Solid-phase supports and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-06-28 US disclosed
US-20150240006-A1 Solid-Phase Supports and Uses Thereof INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-08-27 US disclosed
US-20150240006-A1 Solid-Phase Supports and Uses Thereof INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-08-27 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-20150240006-A1 Solid-Phase Supports and Uses Thereof ACR, ALK, ALKBH3 HDAC8 4009/4885HDAC6 3236/4885HDAC3 4530/4885

“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.