SCHEMBL330461

SCHEMBL330461

O=C(Nc1cc(F)cc(F)c1)c1cc(Br)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 6/20 0.68
P2RX4 Q99571 2/20 0.68
P2RX7 Q99572 2/20 0.68
TMPRSS4 Q9NRS4 5/20 0.68
PLAU P00749 2/20 0.58
F2 P00734 1/20 0.58
F10 P00742 1/20 0.58
PLAT P00750 1/20 0.58
ALOX15 P16050 2/20 0.57
CES2 O00748 1/20 0.51
GALR3 O60755 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CASP1 P29466 1/20 0.51
CYP2C19 P33261 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.48

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
Dibromsalan SCHEMBL29496335 0.83 PLAU (0.73) P2RX1TMPRSS4PLAUF2F10
Dibromsalan SCHEMBL646973 0.83 PLAU (0.73) P2RX1TMPRSS4PLAUF2F10
SCHEMBL330991 0.81 TMPRSS4 (0.68) P2RX1TMPRSS4PLAUF2F10
SCHEMBL27786757 0.81 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4KMT2A
SCHEMBL331484 0.81 P2RX1 (0.74) P2RX1P2RX4P2RX7TMPRSS4PLAU
SCHEMBL30343477 0.81 TMPRSS4 (0.67) P2RX1TMPRSS4PLAUF2F10
SCHEMBL330113 0.81 TMPRSS4 (0.67) P2RX1TMPRSS4PLAUF2F10
SCHEMBL129707 0.81 TMPRSS4 (1.00) P2RX1P2RX4P2RX7TMPRSS4KMT2A
SCHEMBL330512 0.80 TMPRSS4 (0.62) P2RX1P2RX4P2RX7TMPRSS4PLAU
SCHEMBL330395 0.80 TMPRSS4 (0.62) P2RX1P2RX4P2RX7TMPRSS4PLAU

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 9 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-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 (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-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB P2RX1 2316/4885P2RX4 3466/4885P2RX7 1605/4885

“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.