SCHEMBL457304

SCHEMBL457304

COCCCn1c(-c2ccccc2)ncc(C(=O)C2=C(O)CCCC2=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 3/20 0.37
REN P00797 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL16435041 0.92 KMT2A (0.36) TDP1ALDH1A1KMT2ATRPV4MEN1
SCHEMBL454628 0.86 SMN1; SMN2 (0.36) TDP1ALDH1A1KMT2AHSD17B10CYP1A2
SCHEMBL454865 0.84 BUB1 (0.38) ALDH1A1KMT2AHSD17B10MEN1SMN1; SMN2
SCHEMBL455164 0.83 SMN1; SMN2 (0.36) ALDH1A1KMT2AHSD17B10MEN1SMN1; SMN2
SCHEMBL12487741 0.82 SMN1; SMN2 (0.35) ALDH1A1KMT2AHSD17B10CYP1A2MEN1
SCHEMBL454360 0.77 HTT (0.43) TDP1ALDH1A1KMT2AHSD17B10MEN1
SCHEMBL456493 0.77 CYP1A2 (0.43) TDP1ALDH1A1KMT2AHSD17B10CYP1A2
SCHEMBL455598 0.77 ALDH1A1 (0.45) ALDH1A1KMT2ACYP1A2MEN1SMN1; SMN2
SCHEMBL463121 0.75 PIK3CA (0.38) ALDH1A1KMT2AHSD17B10CYP1A2MEN1
SCHEMBL455769 0.75 PIK3CA (0.38) ALDH1A1KMT2AHSD17B10CYP1A2MEN1

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-2475654-B1 HERBICIDAL PYRIMIDONE DERIVATIVES DU PONT (US) 2016-12-28 EP claimed
US-8952024-B2 Herbicidal pyrimidone derivatives E I DU PONT DE NEMOURS AND COMPANY (US) 2015-02-10 US claimed
EP-2475654-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2012-07-18 EP claimed
US-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES FMC CORPORATION 2012-06-14 US claimed
WO-2011031658-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-17 WO claimed
EP-2475654-B1 HERBICIDAL PYRIMIDONE DERIVATIVES DU PONT (US) 2016-12-28 EP disclosed
US-9187432-B2 Intermediates to prepare herbicidal pyrimidone derivatives E I DU PONT DE NEMOURS AND COMPANY (US) 2015-11-17 US disclosed
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES FMC CORPORATION 2015-04-16 US disclosed
US-8952024-B2 Herbicidal pyrimidone derivatives E I DU PONT DE NEMOURS AND COMPANY (US) 2015-02-10 US disclosed
EP-2475654-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2012-07-18 EP disclosed
US-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES FMC CORPORATION 2012-06-14 US disclosed
WO-2012033548-A2 HERBICIDAL BIS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 WO disclosed
WO-2011031658-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-17 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-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES CBR3, CYP1B1, CBR1 TDP1 803/4885ALDH1A1 1886/4885KMT2A 3846/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 TDP1 1249/4885ALDH1A1 1015/4885KMT2A 4560/4885

“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.