SCHEMBL330058

SCHEMBL330058

O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Br)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 8/20 0.67
TRPV1 Q8NER1 1/20 0.60
CHRNA7 P36544 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
P2RX1 P51575 3/20 0.53
P2RX4 Q99571 3/20 0.53
P2RX7 Q99572 3/20 0.53
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
KDR P35968 1/20 0.53
FLT3 P36888 1/20 0.53
MYLK Q15746 1/20 0.53
MAP4K5 Q9Y4K4 1/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50

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
SCHEMBL30771730 0.90 TMPRSS4 (0.63) TMPRSS4TRPV1TSHRSMN1; SMN2MEN1
SCHEMBL331420 0.90 TMPRSS4 (0.63) TMPRSS4TRPV1TSHRSMN1; SMN2MEN1
SCHEMBL330023 0.87 TMPRSS4 (0.83) TMPRSS4TRPV1CHRNA7TSHRSMN1; SMN2
SCHEMBL29367614 0.86 TMPRSS4 (0.73) TMPRSS4MEN1KMT2AP2RX1P2RX4
SCHEMBL331595 0.86 TMPRSS4 (0.73) TMPRSS4MEN1KMT2AP2RX1P2RX4
SCHEMBL330554 0.85 TMPRSS4 (0.67) TMPRSS4TRPV1CHRNA7TSHRSMN1; SMN2
SCHEMBL2700887 0.83 TRPV1 (0.76) TMPRSS4TRPV1CHRNA7TSHRSMN1; SMN2
SCHEMBL330643 0.82 TMPRSS4 (0.69) TMPRSS4TRPV1CHRNA7TSHRSMN1; SMN2
SCHEMBL330396 0.82 TMPRSS4 (0.59) TMPRSS4SMN1; SMN2MEN1KMT2AP2RX1
SCHEMBL3497252 0.82 TRPV1 (0.57) TMPRSS4TRPV1CHRNA7TSHRSMN1; SMN2

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 42 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
CN-100370975-C Inflammatory cytokine production dissociation inhibitor INST OF MEDICINE MOLECULAR DES (JP) 2008-02-27 CN disclosed
CN-101125138-A Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2008-02-20 CN 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
CN-1658855-A O-substituted hydroxyaryl derivatives INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN 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
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 CN 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 1257/4885TRPV1 1299/4885CHRNA7 4199/4885
US-12503425-B2 Methods of treating or controlling cytotoxic cerebral edema AQP4, AQP1, AQP3 TMPRSS4 1043/4885TRPV1 904/4885CHRNA7 4091/4885
US-20220081391-A1 METHODS AQP4, AQP1, AQP3 TMPRSS4 1257/4885TRPV1 1299/4885CHRNA7 4199/4885
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 4278/4885TRPV1 1623/4885CHRNA7 2997/4885
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AQP4, AQP1, AQP3 TMPRSS4 946/4885TRPV1 1102/4885CHRNA7 4190/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 TMPRSS4 1444/4885TRPV1 1156/4885CHRNA7 4283/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885TRPV1 1398/4885CHRNA7 2622/4885
US-20240360077-A1 METHODS AQP4, AQP1, AQP3 TMPRSS4 1415/4885TRPV1 1464/4885CHRNA7 4105/4885

“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.