SCHEMBL129707

SCHEMBL129707

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 13/20 1.00
P2RX1 P51575 15/20 0.74
P2RX7 Q99572 7/20 0.71
P2RX4 Q99571 6/20 0.71
MEN1 O00255 1/20 0.71
IKBKB O14920 1/20 0.71
CHUK O15111 1/20 0.71
KDR P35968 1/20 0.71
FLT3 P36888 1/20 0.71
KMT2A Q03164 1/20 0.71
MYLK Q15746 1/20 0.71
MAP4K5 Q9Y4K4 1/20 0.71
SLC2A1 P11166 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
SCHEMBL129638 0.94 TMPRSS4 (0.90) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL16707253 0.94 TMPRSS4 (0.88) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL30771749 0.89 TMPRSS4 (0.80) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL17845892 0.89 TMPRSS4 (0.80) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL330388 0.88 TMPRSS4 (0.78) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL134080 0.88 TMPRSS4 (0.77) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL130439 0.87 P2RX1 (0.81) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL330392 0.86 TMPRSS4 (0.75) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL23303456 0.85 P2RX1 (1.00) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL132386 0.84 P2RX1 (1.00) TMPRSS4P2RX1P2RX7P2RX4MEN1

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 43 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
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 EP claimed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US claimed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US claimed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US claimed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US claimed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP claimed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US claimed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP claimed
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AEROMICS, INC. (US) 2024-01-16 US disclosed
WO-2021086567-A1 COMPOUNDS AND METHODS FOR POTENTIATING COLISTIN ACTIVITY UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-05-06 WO disclosed
US-20180042873-A1 NOVEL METHODS AEROMICS, INC. (US) 2018-02-15 US disclosed
US-9573885-B2 Methods of treating cerebral edema AEROMICS, INC. (US) 2017-02-21 US disclosed
US-20160346302-A1 NOVEL METHODS AEROMICS, INC. (US) 2016-12-01 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US 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-20180042873-A1 NOVEL METHODS AQP4, AQP1, AQP3 TMPRSS4 2568/4885P2RX1 2332/4885P2RX7 2547/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 TMPRSS4 4322/4885P2RX1 2484/4885P2RX7 2360/4885
US-20160346302-A1 NOVEL METHODS AQP4, AQP1, AQP3 TMPRSS4 2227/4885P2RX1 400/4885P2RX7 552/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT TMPRSS4 4304/4885P2RX1 2927/4885P2RX7 2720/4885
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 4278/4885P2RX1 2507/4885P2RX7 2251/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885P2RX1 1538/4885P2RX7 973/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885P2RX1 1538/4885P2RX7 973/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR TMPRSS4 4402/4885P2RX1 2425/4885P2RX7 2267/4885
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 4273/4885P2RX7 4289/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 TMPRSS4 1444/4885P2RX1 3317/4885P2RX7 3316/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885P2RX1 2316/4885P2RX7 1605/4885

“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.