SCHEMBL15768775

SCHEMBL15768775

CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cncc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.44
PPARG P37231 4/20 0.43
FABP7 O15540 2/20 0.43
GAA P10253 1/20 0.43
FABP5 Q01469 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HDAC4 P56524 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL15768727 0.83 HDAC4 (0.57) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL14276798 0.82 TSHR (0.60) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL5122894 0.82 TSHR (0.60) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL15769328 0.82 HDAC4 (0.64) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL18418086 0.79 GAA (0.63) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL18462855 0.79 GAA (0.63) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL17366557 0.79 GAA (0.63) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL15769145 0.76 HDAC4 (0.68) CYP2D6CYP2C19HDAC4
SCHEMBL24318101 0.76 TSHR (0.60) MEN1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL15768562 0.76 HDAC4 (0.61) MEN1CYP1A2CYP2D6CYP2C19KMT2A

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 MEN1 3789/4885CYP1A2 2659/4885CYP2D6 3895/4885

“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.