SCHEMBL586692

SCHEMBL586692

Cc1cc(Cl)ccc1OC(C)C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HEXD Q8WVB3 1/20 0.83
LMNA P02545 4/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
ALDH1A1 P00352 3/20 0.59
HTT P42858 2/20 0.59
HPGD P15428 3/20 0.57
MAPT P10636 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 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
SCHEMBL2682089 0.91 HEXD (1.00) HEXDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL587029 0.91 HEXD (1.00) HEXDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL587030 0.91 HEXD (1.00) HEXDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL14643330 0.88 HEXD (0.65) HEXDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL10054203 0.86 HEXD (0.68) HEXDLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL14644500 0.86 HEXD (0.63) HEXDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL587230 0.83 HEXD (0.79) HEXDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL14644817 0.83 HEXD (0.81) HEXDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL14644495 0.83 HEXD (0.81) HEXDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL14643619 0.83 HEXD (0.85) HEXDLMNASMN1; SMN2ALDH1A1HTT

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 HEXD 838/4885LMNA 4556/4885SMN1; SMN2 4698/4885

“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.