SCHEMBL247495

SCHEMBL247495

O=[N+]([O-])c1c[c]ccc1I

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
TDP1 Q9NUW8 7/20 0.35
KMT2A Q03164 4/20 0.35
TSHR P16473 4/20 0.35
MEN1 O00255 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
GPR35 Q9HC97 1/20 0.34
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL29172280 0.83 PARP1 (0.37) PARP1TDP1KMT2ATSHRMEN1
SCHEMBL57882 0.80 TSHR (0.40) TDP1KMT2ATSHRMEN1CYP3A4
SCHEMBL6800906 0.78 TDP1 (0.38) TDP1KMT2ATSHRMEN1CYP3A4
SCHEMBL1028967 0.77 TDP1 (0.50) TDP1KMT2ATSHRMEN1CYP3A4
SCHEMBL58127 0.77 HSD17B10 (0.54) TDP1TSHRCYP3A4ALDH1A1MAPT
SCHEMBL710076 0.75 ALDH1A1 (0.47) TDP1KMT2ATSHRMEN1CYP3A4
SCHEMBL1028675 0.75 GPR35 (0.47) TDP1KMT2ATSHRMEN1CYP3A4
SCHEMBL5675005 0.75 TDP1 (0.35) TDP1KMT2ATSHRMEN1CYP3A4
SCHEMBL232839 0.75 TDP1 (0.39) TDP1KMT2ATSHRMEN1CYP3A4
SCHEMBL19859 0.75 VCAM1 (0.46) TDP1TSHRCYP3A4ALDH1A1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279698-A2 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-08-24 EP claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
CN-110062757-A Plasma thromboplastin antecedent a inhibitor and application thereof 广东东阳光药业有限公司 2019-07-26 CN disclosed
EP-2576529-B1 Heterocyclic alkanol derivatives as fungicides BAYER IP GMBH (DE) 2017-05-24 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
CN-103857681-A Novel macrocycles as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2014-06-11 CN disclosed
CN-103702999-A Cyclic p1 linkers as factor xia inhibitors BRISTOL MYERS SQUIBB CO 2014-04-02 CN disclosed
US-8436189-B2 Heterocyclic alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-07 US disclosed
EP-2576529-A1 HETEROCYCLIC ALKANOL DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-04-10 EP disclosed
CN-102947282-A Heterocyclic alkanol derivatives as fungicides BAYER CROPSCIENCE AG 2013-02-27 CN disclosed
US-20120004102-A1 Novel Heterocyclic Alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2012-01-05 US disclosed
WO-2011147815-A1 HETEROCYCLIC ALKANOL DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-01 WO disclosed
EP-0279698-A2 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-08-24 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 (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-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX PARP1 2153/4885TDP1 2034/4885KMT2A 2596/4885
US-20120004102-A1 Novel Heterocyclic Alkanol Derivatives ERG28, CBR3, MYB PARP1 966/4885TDP1 2721/4885KMT2A 2689/4885

“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.