SCHEMBL331595

SCHEMBL331595

O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Br)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 12/20 0.73
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
P2RX1 P51575 6/20 0.48
P2RX4 Q99571 3/20 0.48
P2RX7 Q99572 3/20 0.48
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
AKR1C3 P42330 1/20 0.46
KCNMA1 Q12791 1/20 0.46
SLC2A1 P11166 1/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
MYLK Q15746 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45

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
SCHEMBL29367614 1.00 TMPRSS4 (0.73) TMPRSS4MEN1KMT2AP2RX1P2RX4
SCHEMBL330058 0.86 TMPRSS4 (0.67) TMPRSS4MEN1KMT2AP2RX1P2RX4
SCHEMBL370359 0.85 TMPRSS4 (0.73) TMPRSS4MEN1KMT2AP2RX1P2RX4
SCHEMBL330413 0.85 TMPRSS4 (1.00) TMPRSS4MEN1KMT2AP2RX1P2RX4
SCHEMBL30771730 0.84 TMPRSS4 (0.63) TMPRSS4MEN1KMT2AP2RX1P2RX4
SCHEMBL331420 0.84 TMPRSS4 (0.63) TMPRSS4MEN1KMT2AP2RX1P2RX4
SCHEMBL3497444 0.84 MEN1 (0.65) TMPRSS4MEN1KMT2ARXFP1AKR1C3
SCHEMBL330396 0.83 TMPRSS4 (0.59) TMPRSS4MEN1KMT2AP2RX1RXFP1
SCHEMBL3279232 0.83 TMPRSS4 (0.70) TMPRSS4MEN1KMT2AP2RX1P2RX4
SCHEMBL17845892 0.81 TMPRSS4 (0.80) TMPRSS4MEN1KMT2AP2RX1P2RX4

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024172001-A1 ANTI-TRYPANOSOMAL DRUG 本岡 知子 2024-08-22 WO claimed
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
WO-2024172001-A1 ANTI-TRYPANOSOMAL DRUG 本岡 知子 2024-08-22 WO disclosed
WO-2024172001-A1 ANTI-TRYPANOSOMAL DRUG 本岡 知子 2024-08-22 WO 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-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-9949991-B2 Methods of treating aquaporin-mediated conditions AEROMICS, INC. (US) 2018-04-24 US disclosed
US-9573885-B2 Methods of treating cerebral edema AEROMICS, INC. (US) 2017-02-21 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 (8 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 TMPRSS4 1257/4885MEN1 355/4885KMT2A 399/4885
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 TMPRSS4 4278/4885MEN1 3746/4885KMT2A 1435/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885MEN1 4504/4885KMT2A 4531/4885
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AQP4, AQP1, AQP3 TMPRSS4 946/4885MEN1 204/4885KMT2A 323/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885MEN1 4504/4885KMT2A 4531/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885MEN1 4504/4885KMT2A 4531/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 TMPRSS4 1444/4885MEN1 430/4885KMT2A 580/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885MEN1 4661/4885KMT2A 4095/4885

“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.