SCHEMBL4157259

SCHEMBL4157259

O=[N+]([O-])c1c[c]cc(I)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.41
TSHR P16473 3/20 0.39
VCAM1 P19320 1/20 0.39
XDH P47989 1/20 0.38
ALDH1A1 P00352 5/20 0.37
SNCA P37840 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL76146 0.83 CYP19A1 (0.57) LMNAMEN1HTTKMT2ACYP19A1
SCHEMBL222935 0.75 LMNA (0.56) LMNAMEN1HTTKMT2ACYP19A1
SCHEMBL309438 0.75 CYP19A1 (0.62) LMNAMEN1HTTKMT2ACYP19A1
SCHEMBL9627250 0.74 ALDH1A1 (0.54) LMNACYP19A1TSHRVCAM1ALDH1A1
SCHEMBL16952363 0.73 ALDH1A1 (0.52) LMNAMEN1HTTKMT2ACYP19A1
SCHEMBL458226 0.73 TSHR (0.60) LMNAMEN1HTTKMT2ACYP19A1
SCHEMBL6647785 0.73 CYP19A1 (0.41) LMNAMEN1HTTKMT2ACYP19A1
SCHEMBL5771776 0.73 CYP19A1 (0.41) LMNAMEN1KMT2ACYP19A1TSHR
SCHEMBL11238325 0.73 ALDH1A1 (0.52) LMNAMEN1HTTKMT2ACYP19A1
SCHEMBL5581668 0.70

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
CN-101203484-A Amide derivative and pesticide containing such compound MITSUI CHEMICALS INC (JP) 2008-06-18 CN disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP disclosed
CN-1330638-A Substituted benzo [ de ] isoquinoline-1, 3-diones MERCK PATENT GMBH (DE) 2002-01-09 CN disclosed
CN-1328549-A Substituted benzo [de] isoquinoline-1,3-diones MERCK PATENT GMBH (DE) 2001-12-26 CN disclosed
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
EP-1133475-A1 SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-09-19 EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 WO 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 (2 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-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 LMNA 2204/4885MEN1 4042/4885HTT 4458/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX LMNA 2676/4885MEN1 4770/4885HTT 3396/4885

“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.