SCHEMBL131701

SCHEMBL131701

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 16/20 0.71
P2RX7 Q99572 6/20 0.71
P2RX4 Q99571 5/20 0.71
TMPRSS4 Q9NRS4 10/20 0.67
MEN1 O00255 1/20 0.66
IKBKB O14920 1/20 0.66
CHUK O15111 1/20 0.66
KDR P35968 1/20 0.66
FLT3 P36888 1/20 0.66
KMT2A Q03164 1/20 0.66
MYLK Q15746 1/20 0.66
MAP4K5 Q9Y4K4 1/20 0.66
SLC2A1 P11166 1/20 0.55
P2RX3 P56373 1/20 0.55
JUN P05412 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL3284516 0.90 P2RX1 (0.71) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL3497954 0.85 TMPRSS4 (0.64) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL28916402 0.84 TMPRSS4 (0.77) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL30087008 0.84 TMPRSS4 (0.77) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL127962 0.83 P2RX1 (1.00) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL130439 0.83 P2RX1 (0.81) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL129981 0.83 P2RX1 (0.62) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL131786 0.83 P2RX1 (0.74) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL6282455 0.83 TMPRSS4 (0.67) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL131751 0.83 P2RX1 (0.63) P2RX1P2RX7P2RX4TMPRSS4MEN1

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 34 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-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-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-20180334424-A1 METHODS AEROMICS, INC. 2018-11-22 US disclosed
EP-2846787-B1 Compounds for use in the treatment of aquaporin-mediated diseases AEROMICS INC (US) 2018-08-29 EP disclosed
US-9994514-B2 Methods of treating cerebral edema and spinal cord edema AEROMICS, INC. (US) 2018-06-12 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 (11 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-20180334424-A1 METHODS AQP4, AQP1, AQP3 P2RX1 2910/4885P2RX7 2817/4885P2RX4 2498/4885
US-12503425-B2 Methods of treating or controlling cytotoxic cerebral edema AQP4, AQP1, AQP3 P2RX1 2714/4885P2RX7 2687/4885P2RX4 2213/4885
US-20220081391-A1 METHODS AQP4, AQP1, AQP3 P2RX1 2910/4885P2RX7 2817/4885P2RX4 2498/4885
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 2507/4885P2RX7 2251/4885P2RX4 3900/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885P2RX7 973/4885P2RX4 2695/4885
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AQP4, AQP1, AQP3 P2RX1 2805/4885P2RX7 2680/4885P2RX4 2322/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885P2RX7 973/4885P2RX4 2695/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885P2RX7 973/4885P2RX4 2695/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 P2RX1 3317/4885P2RX7 3316/4885P2RX4 2941/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB P2RX1 2316/4885P2RX7 1605/4885P2RX4 3466/4885
US-20240360077-A1 METHODS AQP4, AQP1, AQP3 P2RX1 2797/4885P2RX7 2653/4885P2RX4 2568/4885

“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.