SCHEMBL9480764

SCHEMBL9480764

O=[N+]([O-])c1ccccc1C1=NOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MEN1 O00255 2/20 0.40
F2 P00734 1/20 0.40
C1R P00736 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 4/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL701527 0.76 TSHR (0.46) ALDH1A1TDP1L3MBTL1MGAMGAA
SCHEMBL30315779 0.76 TSHR (0.46) ALDH1A1TDP1L3MBTL1MGAMGAA
SCHEMBL10547950 0.73 CRBN (0.47) CRBNALDH1A1TDP1L3MBTL1MGAM
SCHEMBL30535903 0.72 ALDH1A1 (0.74) ALDH1A1TDP1L3MBTL1MGAMGAA
SCHEMBL1287837 0.72 ALDH1A1 (0.74) ALDH1A1TDP1L3MBTL1MGAMGAA
SCHEMBL8993582 0.71 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1MGAMGAA
SCHEMBL6773844 0.71 ALDH1A1 (0.47) CRBNALDH1A1TDP1L3MBTL1MGAM
SCHEMBL3175492 0.70 HPGD (0.44) ALDH1A1L3MBTL1KMT2AMAPTNPC1
SCHEMBL8626370 0.70 CRBN (0.41) CRBNALDH1A1TDP1L3MBTL1GAA
SCHEMBL30987815 0.70 ALDH1A1 (0.71) ALDH1A1TDP1L3MBTL1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439432-B2 Phenylisoxazoline-based compound having herbicidal activity and use thereof MOGHU RESEARCH CENTER LTD (KR) 2016-09-13 US disclosed
EP-2765129-B1 PHENYLISOXAZOLINE COMPOUND HAVING HERBICIDAL PROPERTIES AND USE THEREOF KOREA RES INST CHEM TECH (KR) 2016-04-06 EP disclosed
US-20140256553-A1 PHENYLISOXAZOLINE-BASED COMPOUND HAVING HERBICIDAL ACTIVITY AND USE THEREOF MOGHU RESEARCH CENTER LTD. (KR) 2014-09-11 US disclosed
EP-2765129-A1 PHENYLISOXAZOLINE COMPOUND HAVING HERBICIDAL PROPERTIES AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2014-08-13 EP disclosed
US-5262388-A Isooxazoline ethers SHELL RESEARCH LIMITED (GB) 1993-11-16 US disclosed
EP-0514987-A1 Herbicidal compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-11-25 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 (1 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-20140256553-A1 PHENYLISOXAZOLINE-BASED COMPOUND HAVING HERBICIDAL ACTIVITY AND USE THEREOF CYP4X1, HPD, NOTUM CRBN 4174/4885ALDH1A1 590/4885TDP1 2577/4885

“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.