SCHEMBL15768520

SCHEMBL15768520

CCOC(=O)[C@H]1[C@H](c2ccnc(C3CC3)c2)[C@H]1c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.67
HDAC3 O15379 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPEPPS P55786 1/20 0.35

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
SCHEMBL12694601 0.89 HDAC4 (0.66) HDAC4CYP1A2TSHRCYP2C19BRD4
SCHEMBL15607015 0.87 HDAC4 (0.63) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768731 0.85 HDAC4 (0.66) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768669 0.85 HDAC4 (0.58) HDAC4CYP1A2TSHRCYP2C19BRD4
SCHEMBL15768649 0.85 HDAC4 (0.65) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768945 0.81 HDAC4 (0.50) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12499689 0.81 HDAC4 (1.00) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768723 0.79 HDAC4 (0.58) HDAC4CYP1A2TSHRCYP2C19KMT2A
SCHEMBL15768954 0.79 HDAC4 (0.58) HDAC4CYP1A2TSHRCYP2C19KMT2A
SCHEMBL15768848 0.75 HDAC4 (0.45) HDAC4CYP1A2TSHRCYP2C19BRD4

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 10/4885HDAC3 5/4885HDAC7 2/4885

“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.