Sugi Predict

Sugi Predict / Compounds / SCHEMBL15768669

SCHEMBL15768669

SCHEMBL15768669

CCOC(=O)[C@H]1[C@H](c2cc(Cl)nc(C3CC3)c2)[C@H]1c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.58
▸ TSHR P16473 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TP53 P04637 1/20 0.34

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 0.93 HDAC4 (0.66) HDAC4TSHRCYP1A2CYP2C19KDM4E
SCHEMBL15768520 0.85 HDAC4 (0.67) HDAC4TSHRCYP1A2CYP2C19BRD4
SCHEMBL12694600 0.84 HDAC4 (0.65) HDAC4MAPTRIPK1POLB
SCHEMBL19366431 0.78 HDAC4 (0.52) HDAC4RIPK1
SCHEMBL15768848 0.77 HDAC4 (0.45) HDAC4TSHRCYP1A2CYP2C19KDM4E
SCHEMBL15768723 0.77 HDAC4 (0.58) HDAC4TSHRCYP1A2CYP2C19POLB
SCHEMBL15768954 0.77 HDAC4 (0.58) HDAC4TSHRCYP1A2CYP2C19POLB
SCHEMBL15768515 0.74 HDAC4 (0.69) HDAC4TSHRCYP1A2CYP2C19KDM4E
SCHEMBL15768943 0.73 HDAC4 (1.00) HDAC4
SCHEMBL15768942 0.73 HDAC4 (1.00) HDAC4

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 6 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-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 — — US disclosed
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
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 — — 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 10/4885TSHR 4604/4885CYP1A2 2659/4885

“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.