SCHEMBL330413

SCHEMBL330413

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 14/20 1.00
P2RX1 P51575 6/20 0.68
P2RX4 Q99571 4/20 0.68
P2RX7 Q99572 4/20 0.68
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
IKBKB O14920 1/20 0.64
CHUK O15111 1/20 0.64
KDR P35968 1/20 0.64
FLT3 P36888 1/20 0.64
MYLK Q15746 1/20 0.64
MAP4K5 Q9Y4K4 1/20 0.64
SLC2A1 P11166 1/20 0.64
KCNMA1 Q12791 1/20 0.59
CHRNA7 P36544 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54

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
SCHEMBL5066868 0.90 TMPRSS4 (0.81) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330166 0.90 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330023 0.88 TMPRSS4 (0.83) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL14886093 0.86 TMPRSS4 (0.76) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL14885961 0.86 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330394 0.86 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL18341401 0.86 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL30100391 0.86 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL370359 0.85 TMPRSS4 (0.73) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL331595 0.85 TMPRSS4 (0.73) TMPRSS4P2RX1P2RX4P2RX7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 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
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-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 1257/4885P2RX1 2910/4885P2RX4 2498/4885
US-12503425-B2 Methods of treating or controlling cytotoxic cerebral edema AQP4, AQP1, AQP3 TMPRSS4 1043/4885P2RX1 2714/4885P2RX4 2213/4885
US-20220081391-A1 METHODS AQP4, AQP1, AQP3 TMPRSS4 1257/4885P2RX1 2910/4885P2RX4 2498/4885
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AQP4, AQP1, AQP3 TMPRSS4 946/4885P2RX1 2805/4885P2RX4 2322/4885
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT TMPRSS2, TMPRSS4, PRSS2 TMPRSS4 2/4885P2RX1 4273/4885P2RX4 3330/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 TMPRSS4 1444/4885P2RX1 3317/4885P2RX4 2941/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885P2RX1 2316/4885P2RX4 3466/4885
US-20240360077-A1 METHODS AQP4, AQP1, AQP3 TMPRSS4 1415/4885P2RX1 2797/4885P2RX4 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.