SCHEMBL330248

SCHEMBL330248

O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(Br)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
KDR P35968 2/20 0.60
SRPK2 P78362 1/20 0.60
SRPK1 Q96SB4 1/20 0.60
SRPK3 Q9UPE1 1/20 0.60
MAPT P10636 5/20 0.57
TSHR P16473 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HPGD P15428 1/20 0.57
TMPRSS4 Q9NRS4 2/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
XPO1 O14980 2/20 0.53
HTT P42858 2/20 0.53

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
SCHEMBL330145 0.91 GAA (0.67) SRPK1TSHRNPSR1ALDH1A1HSD17B10
SCHEMBL330021 0.87 TMPRSS4 (0.69) CYP1A2CYP2C9CYP2C19KDRSRPK2
SCHEMBL331595 0.80 TMPRSS4 (0.73) KDRTMPRSS4KMT2AMEN1
SCHEMBL29367614 0.80 TMPRSS4 (0.73) KDRTMPRSS4KMT2AMEN1
SCHEMBL330058 0.79 TMPRSS4 (0.67) CYP1A2CYP2C9CYP2C19KDRMAPT
SCHEMBL15215849 0.78 TEK (0.65) CYP1A2CYP2C9CYP2C19KDRSRPK2
SCHEMBL13812897 0.78 TMPRSS4 (0.65) KDRSRPK1TMPRSS4KMT2AMEN1
SCHEMBL329953 0.78 GAA (0.67) SRPK1TSHRNPSR1ALDH1A1HSD17B10
SCHEMBL331420 0.77 TMPRSS4 (0.63) CYP1A2CYP2C9CYP2C19KDRMAPT
SCHEMBL3485129 0.77 SRPK1 (0.78) CYP1A2CYP2C9CYP2C19KDRSRPK2

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 CYP1A2 1547/4885CYP2C9 2082/4885CYP2C19 1929/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP1A2 1583/4885CYP2C9 2035/4885CYP2C19 1840/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP1A2 1583/4885CYP2C9 2035/4885CYP2C19 1840/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP1A2 1583/4885CYP2C9 2035/4885CYP2C19 1840/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB CYP1A2 1483/4885CYP2C9 2889/4885CYP2C19 2296/4885

“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.