SCHEMBL330564

SCHEMBL330564

O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 9/20 0.76
P2RX4 Q99571 5/20 0.76
P2RX7 Q99572 5/20 0.76
TMPRSS4 Q9NRS4 5/20 0.76
KLKB1 P03952 1/20 0.64
PLAU P00749 2/20 0.62
F2 P00734 1/20 0.62
F10 P00742 1/20 0.62
PLG P00747 1/20 0.62
PLAT P00750 1/20 0.62
ALOX15 P16050 1/20 0.59
FADS1 O60427 2/20 0.58
PNLIP P16233 1/20 0.57
KCNMA1 Q12791 1/20 0.53
MEN1 O00255 1/20 0.52
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
KMT2A Q03164 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
SCHEMBL332057 0.86 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4KCNMA1
SCHEMBL25348257 0.86 KLKB1 (0.64) P2RX1P2RX4P2RX7TMPRSS4KLKB1
SCHEMBL7172686 0.85 TMPRSS4 (0.77) P2RX1P2RX4P2RX7TMPRSS4KLKB1
SCHEMBL25351007 0.84 P2RX1 (0.62) P2RX1P2RX4P2RX7TMPRSS4KLKB1
SCHEMBL330755 0.83 FADS1 (0.77) P2RX1P2RX4P2RX7TMPRSS4ALOX15
SCHEMBL18290067 0.82 PNLIP (0.67) P2RX1P2RX4P2RX7TMPRSS4KLKB1
SCHEMBL23303864 0.82 P2RX1 (0.71) P2RX1P2RX4P2RX7TMPRSS4MEN1
SCHEMBL130143 0.82 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4KLKB1
SCHEMBL330715 0.79 TMPRSS4 (0.65) P2RX1P2RX4P2RX7TMPRSS4PLAU
SCHEMBL25349155 0.79 TMPRSS4 (0.80) P2RX1P2RX4P2RX7TMPRSS4KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (4 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 P2RX1 1459/4885P2RX4 2669/4885P2RX7 928/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885P2RX4 2695/4885P2RX7 973/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885P2RX4 2695/4885P2RX7 973/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885P2RX4 2695/4885P2RX7 973/4885

“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.