SCHEMBL130439

SCHEMBL130439

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

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 16/20 0.81
TMPRSS4 Q9NRS4 12/20 0.78
P2RX7 Q99572 6/20 0.76
P2RX4 Q99571 5/20 0.76
MEN1 O00255 1/20 0.76
IKBKB O14920 1/20 0.76
CHUK O15111 1/20 0.76
KDR P35968 1/20 0.76
FLT3 P36888 1/20 0.76
KMT2A Q03164 1/20 0.76
MYLK Q15746 1/20 0.76
MAP4K5 Q9Y4K4 1/20 0.76
SLC2A1 P11166 1/20 0.63

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
SCHEMBL16707261 0.93 P2RX1 (0.71) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL130730 0.91 P2RX1 (0.73) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL130479 0.91 P2RX1 (0.72) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL23303456 0.89 P2RX1 (1.00) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL132386 0.88 P2RX1 (1.00) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL4928355 0.88 P2RX1 (0.76) P2RX1TMPRSS4P2RX7P2RX4MEN1
Imd-0354 SCHEMBL129165 0.87 TMPRSS4 (1.00) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL130929 0.87 P2RX1 (0.74) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL132474 0.87 P2RX1 (1.00) P2RX1TMPRSS4P2RX7P2RX4MEN1
Imd-0354 SCHEMBL29406220 0.87 TMPRSS4 (1.00) P2RX1TMPRSS4P2RX7P2RX4MEN1

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 56 patents — showing the first 20. 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 claimed
US-12503425-B2 Methods of treating or controlling cytotoxic cerebral edema AEROMICS, INC. (US) 2025-12-23 US disclosed
US-12213987-B2 Prodrug salts AEROMICS, INC. (US) 2025-02-04 US disclosed
US-20240360077-A1 METHODS AEROMICS, INC. 2024-10-31 US disclosed
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AEROMICS, INC. (US) 2024-01-16 US disclosed
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AEROMICS, INC. (US) 2024-01-16 US disclosed
US-20220143048-A1 NOVEL PRODRUG SALTS AEROMICS, INC. 2022-05-12 US disclosed
US-20220081391-A1 METHODS AEROMICS, INC. 2022-03-17 US disclosed
CN-109512805-B Compounds for the treatment of aquaporin mediated diseases 埃罗米克斯公司 2021-12-31 CN disclosed
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AEROMICS, INC. (US) 2021-08-10 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 US disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 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 (12 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-12503425-B2 Methods of treating or controlling cytotoxic cerebral edema AQP4, AQP1, AQP3 P2RX1 2714/4885TMPRSS4 1043/4885P2RX7 2687/4885
US-20220081391-A1 METHODS AQP4, AQP1, AQP3 P2RX1 2910/4885TMPRSS4 1257/4885P2RX7 2817/4885
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA P2RX1 2507/4885TMPRSS4 4278/4885P2RX7 2251/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885P2RX7 973/4885
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AQP4, AQP1, AQP3 P2RX1 2805/4885TMPRSS4 946/4885P2RX7 2680/4885
US-12213987-B2 Prodrug salts AQP4, AQP1, AQP3 P2RX1 556/4885TMPRSS4 1144/4885P2RX7 405/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885P2RX7 973/4885
US-20220143048-A1 NOVEL PRODRUG SALTS AQP4, AQP1, AQP3 P2RX1 543/4885TMPRSS4 1033/4885P2RX7 442/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885P2RX7 973/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 P2RX1 3317/4885TMPRSS4 1444/4885P2RX7 3316/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB P2RX1 2316/4885TMPRSS4 3292/4885P2RX7 1605/4885
US-20240360077-A1 METHODS AQP4, AQP1, AQP3 P2RX1 2797/4885TMPRSS4 1415/4885P2RX7 2653/4885

“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.