SCHEMBL329448

SCHEMBL329448

O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cc(Br)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 7/20 0.58
AR P10275 4/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 2/20 0.56
CES2 O00748 1/20 0.56
ABCB11 O95342 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
GLA P06280 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
TBXA2R P21731 1/20 0.56
AADAC P22760 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA1A P35348 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL330642 0.86 TMPRSS4 (0.72) TMPRSS4ARCYP3A4ALOX15CES2
SCHEMBL11668761 0.86 AR (0.59) TMPRSS4ARCYP3A4ALOX15CES2
SCHEMBL21282650 0.85 KCNMA1 (0.61) ARCYP3A4ALOX15CES2ABCB11
SCHEMBL30771733 0.82 P2RX1 (0.63) TMPRSS4CYP3A4ALOX15ALDH1A1LMNA
SCHEMBL26980274 0.82 P2RX1 (0.63) TMPRSS4CYP3A4ALOX15ALDH1A1LMNA
SCHEMBL13885116 0.82 AR (0.56) TMPRSS4ARCYP3A4ALOX15CES2
SCHEMBL330383 0.81 TMPRSS4 (0.77) TMPRSS4LMNAHTTP2RX1HDAC3
SCHEMBL24460162 0.80 TMPRSS4 (0.64) TMPRSS4ALOX15ALDH1A1LMNASMN1; SMN2
SCHEMBL27715314 0.79 AR (0.48) TMPRSS4ARCYP3A4ALOX15CES2
SCHEMBL24460153 0.79 TMPRSS4 (0.64) TMPRSS4ALOX15P2RX1HDAC3HDAC1

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 10 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
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 TMPRSS4 1813/4885AR 1100/4885CYP3A4 1565/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885AR 1235/4885CYP3A4 1488/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885AR 1235/4885CYP3A4 1488/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885AR 1235/4885CYP3A4 1488/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885AR 1698/4885CYP3A4 1988/4885

“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.