SCHEMBL330901

SCHEMBL330901

O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(I)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 10/20 0.74
TMPRSS4 Q9NRS4 8/20 0.74
P2RX4 Q99571 5/20 0.74
P2RX7 Q99572 5/20 0.74
KCNMA1 Q12791 3/20 0.56
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
MYLK Q15746 1/20 0.52
MAP4K5 Q9Y4K4 1/20 0.52
FADS1 O60427 3/20 0.51

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
SCHEMBL14223810 0.88 P2RX1 (0.77) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL4926845 0.87 TMPRSS4 (0.70) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL332057 0.85 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL30887951 0.83 P2RX1 (0.60) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL2170423 0.83 P2RX1 (0.60) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL23303299 0.81 TMPRSS4 (0.53) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL330690 0.81 P2RX1 (0.74) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL17845883 0.81 P2RX1 (0.82) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL17774843 0.81 P2RX1 (0.74) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL330475 0.81 P2RX1 (0.74) P2RX1TMPRSS4P2RX4P2RX7KCNMA1

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
WO-2021086567-A1 COMPOUNDS AND METHODS FOR POTENTIATING COLISTIN ACTIVITY UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-05-06 WO disclosed
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 P2RX1 1459/4885TMPRSS4 1813/4885P2RX4 2669/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885P2RX4 2695/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885P2RX4 2695/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885P2RX4 2695/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB P2RX1 2316/4885TMPRSS4 3292/4885P2RX4 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.