SCHEMBL330145

SCHEMBL330145

O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(Br)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
KDM4E B2RXH2 1/20 0.67
TSHR P16473 2/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HSD17B10 Q99714 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 4/20 0.63
SRPK1 Q96SB4 1/20 0.60
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
BACE1 P56817 1/20 0.57
LMNA P02545 2/20 0.57

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
SCHEMBL330248 0.91 CYP1A2 (0.61) GAAKDM4ETSHRHTTNPSR1
SCHEMBL329953 0.88 GAA (0.67) GAAKDM4ETSHRHTTNPSR1
SCHEMBL20357282 0.79 ALDH1A1 (0.79) GAAKDM4ETSHRHTTNPSR1
SCHEMBL330021 0.78 TMPRSS4 (0.69) GAAKDM4ETSHRNPSR1HSD17B10
SCHEMBL23406402 0.78 ALDH1A1 (0.77) GAAKDM4ETSHRHTTNPSR1
SCHEMBL331595 0.78 TMPRSS4 (0.73)
SCHEMBL29367614 0.78 TMPRSS4 (0.73)
SCHEMBL29636844 0.78 ALDH1A1 (0.77) GAAKDM4ETSHRHTTNPSR1
SCHEMBL1813423 0.78 ALDH1A1 (1.00) GAAKDM4ETSHRHTTNPSR1
SCHEMBL1264113 0.78 L3MBTL1 (0.67) GAAKDM4ETSHRHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP 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 (5 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 525/4885KDM4E 4017/4885TSHR 3741/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 618/4885KDM4E 3953/4885TSHR 3827/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 618/4885KDM4E 3953/4885TSHR 3827/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 618/4885KDM4E 3953/4885TSHR 3827/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB GAA 954/4885KDM4E 3631/4885TSHR 4035/4885

“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.