SCHEMBL15768671

SCHEMBL15768671

CCC1(C(=O)O)C(c2cc(Cl)nc(C3CC3)c2)C1c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.46
RIPK1 Q13546 4/20 0.35
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 3/20 0.33
HCAR2 Q8TDS4 1/20 0.32
RBP4 P02753 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALPL P05186 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD4 P21917 1/20 0.32
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL12499524 1.00 HDAC4 (0.46) HDAC4RIPK1KCNJ6KCNJ5KCNJ3
SCHEMBL15768602 0.93 HDAC4 (0.53) HDAC4RIPK1POLBMAPTHCAR2
SCHEMBL12498732 0.93 HDAC4 (0.53) HDAC4RIPK1POLBMAPTHCAR2
SCHEMBL12497847 0.84 HDAC4 (0.56) HDAC4RIPK1HCAR2DRD4HDAC3
SCHEMBL15768522 0.84 HDAC4 (0.56) HDAC4RIPK1HCAR2DRD4HDAC3
SCHEMBL15768725 0.78 HDAC4 (0.43) HDAC4RIPK1POLBCYP1A2CYP2C9
SCHEMBL12498067 0.78 HDAC4 (0.43) HDAC4RIPK1POLBCYP1A2CYP2C9
SCHEMBL12499773 0.78 HDAC4 (0.43) HDAC4RIPK1POLBCYP1A2CYP2C9
SCHEMBL15768850 0.77 HDAC4 (0.37) HDAC4MAPTHDAC3HDAC7HDAC8
SCHEMBL12499759 0.77 HDAC4 (0.37) HDAC4MAPTHDAC3HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885RIPK1 3610/4885KCNJ6 4609/4885

“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.