SCHEMBL3663619

SCHEMBL3663619

O=C(Nc1cc(Br)c(F)cc1F)N(S)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.42
NPC1 O15118 8/20 0.42
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
KIF11 P52732 1/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 4/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.34
ACLY P53396 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1192976 0.78 MEN1 (0.40) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL3662242 0.78 HDAC1 (0.46) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL5212061 0.75 KMT2A (0.59) RAB9ANPC1HTTALDH1A1LMNA
SCHEMBL220680 0.73 MEN1 (0.41) RAB9AHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL3663616 0.72 EPHX1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1420997 0.72 IDO1 (0.31) HDAC1HDAC6IDO1TDO2POLB
SCHEMBL1420803 0.72 IDO1 (0.31) HDAC6IDO1TDO2POLBRECQL
SCHEMBL14859165 0.72 ALDH1A1 (0.51) RAB9ANPC1HTTSMN1; SMN2ALDH1A1
SCHEMBL222250 0.71 MEN1 (0.36) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL5713570 0.70 NPSR1 (0.54) RAB9ANPC1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 EP disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US disclosed
EP-2828257-A1 ANTIBACTERIAL COMPOUNDS Biota Europe Ltd (GB) 2015-01-28 EP disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 US disclosed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 WO disclosed
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 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 (4 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD RAB9A 945/4885NPC1 1870/4885HDAC1 192/4885
US-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS RAB9A 1596/4885NPC1 2454/4885HDAC1 54/4885
US-20130252938-A1 Antibacterial Compounds STS, PGLS, PEPD RAB9A 945/4885NPC1 1870/4885HDAC1 192/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK RAB9A 2295/4885NPC1 2672/4885HDAC1 809/4885

“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.