SCHEMBL131564

SCHEMBL131564

O=C1NCCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 2/20 0.45
HSD11B1 P28845 1/20 0.42
CMA1 P23946 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GPR6 P46095 1/20 0.40
HDAC1 Q13547 2/20 0.39
EIF2AK2 P19525 1/20 0.39
MAOB P27338 1/20 0.39
AKR1C3 P42330 1/20 0.39
NOTUM Q6P988 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL6273817 0.86 CMA1 (0.37) NOX4HSD11B1CMA1PTGS1PTGS2
SCHEMBL40666 0.82 ADRB1 (0.51) CMA1
SCHEMBL15077177 0.82 DGAT1 (0.43) HSD11B1EIF2AK2
SCHEMBL305860 0.81 ALDH1A1 (0.55) EIF2AK2
SCHEMBL13737111 0.80 ALDH1A1 (0.56) PTGS1PTGS2
SCHEMBL27886229 0.79 DDB1 (0.47) CMA1EIF2AK2
SCHEMBL8195822 0.78 SLC6A2 (0.46) NOX4HSD11B1TRPV1CA12CA2
SCHEMBL20956958 0.78 LIPE (0.49) OPRL1
SCHEMBL8581320 0.78 LIPE (0.46)
SCHEMBL2960834 0.77 ADRB2 (0.48) EIF2AK2

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
WO-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
US-20140221374-A1 RAF KINASE INHIBITORS RUGA CORPORATION (US) 2014-08-07 US disclosed
EP-2702052-A1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2014-03-05 EP disclosed
EP-2686317-A2 RAF KINASE INHIBITORS Selexagen Therapeutics, Inc. (US) 2014-01-22 EP disclosed
US-8334313-B2 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2012-12-18 US disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
WO-2012125981-A2 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2012-09-20 WO disclosed
EP-1542667-B1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2012-03-07 EP disclosed
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2011-06-02 US disclosed
US-7902241-B2 3-[3-(4-ISOPROPYLPHENYL)-2,5-DIOXO-IMIDAZOLIDIN-1-YL]- or 2-OXO-2,3-DIHYDROIMIDAZOL-1-YL]BENZOIC ACID; modulating premature translation termination and nonsense-mediated mRNA decay; gene therapy; cystic fibrosis or Duchenne muscular dystrophy; cancer, autoimmune disease, blood disease, diabetes PTC THERAPEUTICS, INC. (US) 2011-03-08 US disclosed
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US disclosed
US-20060167065-A1 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US disclosed
CN-1759105-A Phthalamide derivatives having insecticidal activity BAYER CROPSCIENCE AG (DE) 2006-04-12 CN disclosed
EP-1542667-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-06-22 EP disclosed
WO-2004009558-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS, THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASES CAUSED BY SUCH MUTATIONS PTC THERAPEUTICS, INC. (US) 2004-01-29 WO disclosed
US-5990139-A 2,5-DIOXO-4-(PYRIDYL OR PHENYL-(N-HETEROCYCLE(C4N,C3N2))-ALKYLENOXY-(1,4-PHENYLENE) -)THIADIAZOLIDINES; ANTIDIABETIC AND -LIPEMIC AGENTS; SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-11-23 US disclosed
US-5792780-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0657449-B1 Azole compounds, their production and use as antifungal agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-04-08 EP disclosed
US-5545652-A Triazole and imidazole compounds and their use as antifungal therapeutic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-13 US disclosed
EP-0657449-A1 Azole compounds, their production and use as antifungal agents Takeda Chemical Industries, Ltd. (JP) 1995-06-14 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 (4 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-20060167065-A1 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, VHL, URB2 NOX4 4107/4885HSD11B1 2144/4885CMA1 3088/4885
US-20140221374-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF NOX4 2195/4885HSD11B1 2337/4885CMA1 3072/4885
US-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 NOX4 1351/4885HSD11B1 3703/4885CMA1 3716/4885
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 NOX4 4107/4885HSD11B1 2144/4885CMA1 3088/4885

“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.