SCHEMBL582097

SCHEMBL582097

CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.73
ALDH1A1 P00352 3/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
KDM4E B2RXH2 2/20 0.73
HTT P42858 2/20 0.73
HEXD Q8WVB3 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.69
HPGD P15428 3/20 0.63
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 2/20 0.55
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
PKM P14618 1/20 0.52

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 0.91 LMNA (0.82) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL13147496 0.88 LMNA (0.70) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL14644169 0.88 ALDH1A1 (0.70) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL14644195 0.88 LMNA (0.70) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL14643600 0.88 LMNA (0.73) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL581762 0.88 LMNA (0.77) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL581137 0.87 LMNA (0.75) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL14644830 0.87 LMNA (0.75) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL14643575 0.86 LMNA (0.78) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL581571 0.86 ALDH1A1 (0.73) LMNAALDH1A1L3MBTL1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 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
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 (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-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System CLPP, TFPI, SI LMNA 4556/4885ALDH1A1 4734/4885L3MBTL1 3356/4885

“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.