SCHEMBL14930775

SCHEMBL14930775

Cc1cc(C(F)(F)F)nc(C(F)(F)F)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.61
HSP90AB1 P08238 1/20 0.61
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 2/20 0.44
MAPT P10636 2/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL13201505 0.87 HSP90AA1 (0.57) HSP90AA1HSP90AB1KMT2AHSD17B10KDM4E
SCHEMBL17109752 0.87 HSP90AA1 (0.47) HSP90AA1HSP90AB1KMT2AHSD17B10KDM4E
SCHEMBL11981453 0.85 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSD17B10KDM4EHTT
SCHEMBL3293782 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1KMT2AHSD17B10KDM4E
SCHEMBL14927263 0.79 HSP90AA1 (0.63) HSP90AA1HSP90AB1KMT2AHSD17B10KDM4E
Ammonia Solution, Strong SCHEMBL15795498 0.77 HSP90AA1 (0.61) HSP90AA1HSP90AB1KMT2AHSD17B10KDM4E
SCHEMBL8539215 0.76 HSP90AA1 (0.59) HSP90AA1HSP90AB1KMT2AHSD17B10KDM4E
SCHEMBL5361699 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1KMT2AHSD17B10KDM4E
SCHEMBL17049151 0.76 HSP90AA1 (0.59) HSP90AA1HSP90AB1KMT2AHSD17B10KDM4E
SCHEMBL21212781 0.76 HSP90AA1 (0.39) HSP90AA1HSP90AB1HSD17B10KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020160010-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2020-08-06 WO disclosed
EP-2576532-B1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX LLC (US) 2018-07-18 EP disclosed
EP-2935236-B1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2017-11-29 EP disclosed
EP-3173406-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2017-05-31 EP disclosed
US-9663483-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2017-05-30 US disclosed
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC 2016-01-28 US disclosed
US-9149527-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2015-10-06 US disclosed
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2014-10-16 US disclosed
US-8722731-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2014-05-13 US disclosed
US-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2013-05-09 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 (3 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-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, EIF4A1 HSP90AA1 1066/4885HSP90AB1 947/4885KMT2A 2163/4885
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 HSP90AA1 1262/4885HSP90AB1 1167/4885KMT2A 1869/4885
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 HSP90AA1 1262/4885HSP90AB1 1167/4885KMT2A 1869/4885

“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.