SCHEMBL15723904

SCHEMBL15723904

CC(C)c1ncccc1-c1cccc(OC(C)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.39
GRM5 P41594 1/20 0.39
KCNH2 Q12809 2/20 0.38
KCNA5 P22460 1/20 0.38
DYRK1A Q13627 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
NPY5R Q15761 1/20 0.38
PDE4A P27815 6/20 0.37
PDE4B Q07343 6/20 0.37
PDE4C Q08493 6/20 0.37
PDE4D Q08499 6/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL20365104 0.90 GRM5 (0.48) DHODHGRM5KCNH2KCNA5DYRK1A
SCHEMBL15723932 0.85 RIPK1 (0.37) DHODHKCNH2SCN10ACLK4NPY5R
SCHEMBL15723914 0.79 PTPN5 (0.40) KCNH2KCNA5ALDH1A1
SCHEMBL14555459 0.77 MAOB (0.49) GRM5PDE4APDE4BPDE4CPDE4D
SCHEMBL18854065 0.77 ALDH1A1 (0.46) KCNH2KCNA5NPY5RKDM4EALDH1A1
SCHEMBL15723925 0.75 MAP4K4 (0.50) GRM5CLK4
SCHEMBL20371568 0.74 KDM4E (0.43) DHODHKCNH2SCN10ANPY5RKDM4E
SCHEMBL15730155 0.73 DHODH (0.51) DHODHGRM5KCNH2KCNA5DYRK1A
SCHEMBL15723895 0.73 BCHE (0.44) GRM5DYRK1ACLK4NPY5RALDH1A1
SCHEMBL15723950 0.70 PTGS1 (0.44) KCNH2KCNA5ALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (2 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN DHODH 248/4885GRM5 3235/4885KCNH2 2726/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN DHODH 248/4885GRM5 3235/4885KCNH2 2726/4885

“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.