SCHEMBL17469279

SCHEMBL17469279

COc1cc(Br)c2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
MTNR1A P48039 4/20 0.37
MTNR1B P49286 3/20 0.37
BCHE P06276 1/20 0.36
DYRK1A Q13627 2/20 0.33
DYRK3 O43781 1/20 0.33
CDK9 P50750 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32

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
SCHEMBL17469274 0.87 CYP3A4 (0.38) MTNR1AMTNR1BBCHEDYRK1AHDAC6
SCHEMBL17469282 0.87 NQO2 (0.45) MTNR1AMTNR1BBCHETUBB4ATUBB
SCHEMBL17469285 0.87 CFTR (0.41) MTNR1ABCHEDYRK1ADYRK3DYRK2
SCHEMBL17469281 0.86 BCHE (0.36) MTNR1ABCHEDYRK1ATUBB4ATUBB
SCHEMBL17469275 0.86 BCHE (0.36) BCHEDYRK1ADYRK3CDK9DYRK2
SCHEMBL19317484 0.84 ENPP3 (0.40) ENPP3ENPP1MAPT
SCHEMBL19322129 0.84 GAA (0.40) BCHETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17469286 0.82 BCHE (0.36) MTNR1AMTNR1BBCHEDYRK1APDE3B
SCHEMBL17469276 0.81 MTNR1A (0.43) MTNR1AMTNR1BBCHETUBB4ATUBB
SCHEMBL19322108 0.77 ALDH1A1 (0.49) MTNR1AMTNR1BBCHETUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253580-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-07 US disclosed
WO-2016014426-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS (US) 2016-01-28 WO 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-20170253580-A1 ORGANIC REACTIONS MYC, CYP2E1, CYP3A4 ENPP3 1199/4885ENPP1 1282/4885MTNR1A 3861/4885

“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.