SCHEMBL329953

SCHEMBL329953

O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(Cl)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
KDM4E B2RXH2 1/20 0.67
TMPRSS4 Q9NRS4 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 3/20 0.63
TSHR P16473 2/20 0.61
HSD17B10 Q99714 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
SRPK1 Q96SB4 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 1/20 0.58
LMNA P02545 1/20 0.57

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
SCHEMBL330021 0.91 TMPRSS4 (0.69) GAAKDM4ETMPRSS4L3MBTL1ALDH1A1
SCHEMBL13812851 0.88 TP53 (0.63) GAAKDM4ETMPRSS4L3MBTL1TSHR
SCHEMBL13812897 0.88 TMPRSS4 (0.65) GAAKDM4ETMPRSS4L3MBTL1SMN1; SMN2
SCHEMBL330145 0.88 GAA (0.67) GAAKDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL10144138 0.86 KDM4E (0.65) GAAKDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL5111331 0.83 LMNA (0.62) GAAKDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL4548169 0.81 SMN1; SMN2 (0.66) GAAKDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL13812909 0.80 TMPRSS4 (0.58) GAAKDM4ETMPRSS4ALDH1A1TSHR
SCHEMBL330166 0.80 TMPRSS4 (1.00) TMPRSS4
SCHEMBL28916400 0.80 TMPRSS4 (0.68) TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AEROMICS, INC. (US) 2024-01-16 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
CN-109512805-A For treating the compound of the disease of aquaporin mediation 埃罗米克斯公司 2019-03-26 CN disclosed
CN-104602682-B Compounds for the treatment of aquaporin mediated diseases 埃罗米克斯公司 2018-12-14 CN 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-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 (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 GAA 755/4885KDM4E 1657/4885TMPRSS4 1257/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 525/4885KDM4E 4017/4885TMPRSS4 1813/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 618/4885KDM4E 3953/4885TMPRSS4 1647/4885
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AQP4, AQP1, AQP3 GAA 759/4885KDM4E 1634/4885TMPRSS4 946/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 618/4885KDM4E 3953/4885TMPRSS4 1647/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 618/4885KDM4E 3953/4885TMPRSS4 1647/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 GAA 333/4885KDM4E 2233/4885TMPRSS4 1444/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB GAA 954/4885KDM4E 3631/4885TMPRSS4 3292/4885

“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.