SCHEMBL17865235

SCHEMBL17865235

Cc1ccc(C2CO2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
ACHE P22303 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 6/20 0.35
NFE2L2 Q16236 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL13262936 0.85 BRD4 (0.33) BRD4SLC6A2SLC6A4SLC6A3
SCHEMBL8422197 0.79 ALDH1A1 (0.39) ACHECHRNB2CHRNA4HTR2AHTR2C
SCHEMBL1121711 0.79 HTR2A (0.49) CHRNB2CHRNA4SLC6A4HTR2AHTR2C
SCHEMBL12303672 0.79 HTR2A (0.49) CHRNB2CHRNA4SLC6A4HTR2AHTR2C
SCHEMBL29595508 0.79 HTR2A (0.49) CHRNB2CHRNA4SLC6A4HTR2AHTR2C
SCHEMBL25696399 0.78 CHRNB2 (0.38) ACHECHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL13515613 0.78 RAPGEF4 (0.33)
SCHEMBL12511071 0.78 RAPGEF4 (0.33)
SCHEMBL21779355 0.77 HTR1A (0.46)
SCHEMBL4971608 0.77 NISCH (0.34)

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-20170360760-A1 Inhibitors of Bromodomains ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
WO-2016097863-A1 INHIBITORS OF BROMODOMAINS ZENITH EPIGENETICS CORP. (CA) 2016-06-23 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-20170360760-A1 Inhibitors of Bromodomains BRDT, BRD3, BRPF3 BRD4 5/4885ACHE 4734/4885CHRNB2 2925/4885

“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.