SCHEMBL330755

SCHEMBL330755

O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.77
P2RX1 P51575 4/20 0.71
P2RX4 Q99571 3/20 0.71
P2RX7 Q99572 3/20 0.71
TMPRSS4 Q9NRS4 2/20 0.71
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
LMNA P02545 4/20 0.66
HTT P42858 4/20 0.66
TP53 P04637 3/20 0.66
KDM4E B2RXH2 2/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
KCNMA1 Q12791 1/20 0.62
PNLIP P16233 1/20 0.61
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 2/20 0.58

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
SCHEMBL2701738 0.87 FADS1 (1.00) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL240964 0.85 FADS1 (0.65) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL29601056 0.85 FADS1 (0.65) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL11594877 0.85 DHODH (0.72) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL28772837 0.84 FADS1 (0.60) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL28596892 0.84 FADS1 (0.71) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL2698725 0.84 PNLIP (0.82) FADS1P2RX1TMPRSS4MEN1KMT2A
SCHEMBL25354071 0.83 FADS1 (0.67) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL7822055 0.83 FADS1 (0.69) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL332057 0.83 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4MEN1

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 FADS1 2284/4885P2RX1 1459/4885P2RX4 2669/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FADS1 2177/4885P2RX1 1538/4885P2RX4 2695/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FADS1 2177/4885P2RX1 1538/4885P2RX4 2695/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FADS1 2177/4885P2RX1 1538/4885P2RX4 2695/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB FADS1 2304/4885P2RX1 2316/4885P2RX4 3466/4885

“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.