Sugi Predict

Sugi Predict / Compounds / SCHEMBL15768614

SCHEMBL15768614

SCHEMBL15768614

CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cccc(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.53
▸ FABP7 O15540 3/20 0.50
▸ FABP5 Q01469 2/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PPARG P37231 5/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL15783747 0.87 FABP7 (0.60) HDAC4FABP7FABP5MEN1KMT2A
SCHEMBL14276798 0.87 TSHR (0.60) FABP7FABP5MEN1KMT2ATSHR
SCHEMBL5122894 0.87 TSHR (0.60) FABP7FABP5MEN1KMT2ATSHR
SCHEMBL15768562 0.86 HDAC4 (0.61) HDAC4ALDH1A1FABP7FABP5MEN1
SCHEMBL18418086 0.83 GAA (0.63) ALDH1A1FABP7FABP5MEN1KMT2A
SCHEMBL17366557 0.83 GAA (0.63) ALDH1A1FABP7FABP5MEN1KMT2A
SCHEMBL18462855 0.83 GAA (0.63) ALDH1A1FABP7FABP5MEN1KMT2A
SCHEMBL12499504 0.83 TSHR (0.45) HDAC4ALDH1A1FABP7FABP5MEN1
SCHEMBL15768958 0.83 TSHR (0.45) HDAC4ALDH1A1FABP7FABP5MEN1
SCHEMBL15768581 0.82 HDAC4 (0.61) HDAC4FABP7FABP5MEN1KMT2A

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 10/4885ALDH1A1 559/4885FABP7 2220/4885

“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.