SCHEMBL15768992

SCHEMBL15768992

CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(N)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
FABP7 O15540 3/20 0.51
GAA P10253 1/20 0.51
PPARG P37231 4/20 0.51
CYP1A2 P05177 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
FABP5 Q01469 2/20 0.50
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL5122894 0.92 TSHR (0.60) TSHRFABP7GAAPPARGCYP1A2
SCHEMBL14276798 0.92 TSHR (0.60) TSHRFABP7GAAPPARGCYP1A2
SCHEMBL18462855 0.89 GAA (0.63) TSHRFABP7GAAPPARGCYP1A2
SCHEMBL17366557 0.89 GAA (0.63) TSHRFABP7GAAPPARGCYP1A2
SCHEMBL18418086 0.89 GAA (0.63) TSHRFABP7GAAPPARGCYP1A2
SCHEMBL15783747 0.86 FABP7 (0.60) TSHRFABP7GAAPPARGCYP1A2
SCHEMBL24318101 0.85 TSHR (0.60) TSHRFABP7GAAPPARGCYP1A2
SCHEMBL26036694 0.84 GAA (0.71) TSHRFABP7GAAPPARGMEN1
SCHEMBL12694395 0.84 TSHR (0.49) TSHRFABP7GAAPPARGCYP1A2
SCHEMBL12499504 0.82 TSHR (0.45) TSHRFABP7GAAPPARGCYP1A2

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 TSHR 4604/4885FABP7 2220/4885GAA 100/4885

“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.