SCHEMBL581571

SCHEMBL581571

COc1ccc(CNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
LMNA P02545 4/20 0.73
HTT P42858 4/20 0.73
L3MBTL1 Q9Y468 3/20 0.73
KDM4E B2RXH2 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.66
HEXD Q8WVB3 1/20 0.66
HPGD P15428 1/20 0.64
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 2/20 0.62
TP53 P04637 1/20 0.58
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
THRB P10828 1/20 0.52
PKM P14618 1/20 0.50
CNR1 P21554 1/20 0.50

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
SCHEMBL14643585 0.92 LMNA (0.82) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL14643592 0.91 LMNA (0.70) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL14644088 0.89 L3MBTL1 (0.58) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL14643359 0.89 ALDH1A1 (0.58) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL14644169 0.88 ALDH1A1 (0.70) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL581762 0.88 LMNA (0.77) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL14644193 0.88 ALDH1A1 (0.66) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL581137 0.87 LMNA (0.75) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL14644830 0.87 LMNA (0.75) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL14643575 0.87 LMNA (0.78) ALDH1A1LMNAHTTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731608-B1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX INC (US) 2018-03-14 EP disclosed
US-9340551-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2016-05-17 US disclosed
US-9340551-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2016-05-17 US disclosed
US-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 US disclosed
US-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 US disclosed
US-20140219995-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2014-08-07 US disclosed
US-20140219995-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2014-08-07 US disclosed
US-20140142134-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2014-05-22 US disclosed
US-20140142134-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2014-05-22 US disclosed
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-10 US disclosed
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-10 US disclosed
EP-2416661-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM Microbiotix, Inc. (US) 2012-02-15 EP disclosed
WO-2010118046-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2010-10-14 WO disclosed
WO-2010118046-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2010-10-14 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 (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-20140142134-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM TNPO3, TFPI, CLPP ALDH1A1 4855/4885LMNA 3162/4885HTT 2918/4885
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System CLPP, TFPI, SI ALDH1A1 4734/4885LMNA 4556/4885HTT 2705/4885
US-20140219995-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM CLPP, TFPI, SI ALDH1A1 4734/4885LMNA 4556/4885HTT 2705/4885

“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.