SCHEMBL456547

SCHEMBL456547

COCCn1c(-c2ccsc2)ncc(C(=O)C2C(=O)CCCC2=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
FYN P06241 1/20 0.34
CALCRL Q16602 1/20 0.33
OPRK1 P41145 1/20 0.33
P2RX3 P56373 1/20 0.33
CHEK2 O96017 1/20 0.33
POLQ O75417 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
AVPR1B P47901 1/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 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
SCHEMBL27880570 0.87 ALDH1A1 (0.36) KDM4EALDH1A1TDP1POLBMAPT
SCHEMBL9895278 0.84 ALDH1A1 (0.46) KDM4EALDH1A1TDP1POLBHSD17B10
SCHEMBL9894439 0.81 CHEK2 (0.50) KDM4EALDH1A1POLBMAPTHSD17B10
SCHEMBL9903971 0.69 CYP1A2 (0.40) ALDH1A1MAPTHSD17B10HPGDCASP1
SCHEMBL9895127 0.64 CYP1A2 (0.47) ALDH1A1HSD17B10HPGDCASP1
SCHEMBL457304 0.62 TDP1 (0.39) KDM4EALDH1A1TDP1MAPTHSD17B10
SCHEMBL457397 0.62 ALDH1A1 (0.39) ALDH1A1TDP1MAPTHSD17B10HPGD
SCHEMBL9895612 0.62 HSD17B10 (0.45) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL1527832 0.61 GAA (0.39) ALDH1A1MAPTOPRK1CNR1CNR2
SCHEMBL16435041 0.61 KMT2A (0.36) ALDH1A1TDP1AVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630928-B2 Intermediates to prepare herbicidal pyrimidone derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-04-25 US disclosed
EP-2475654-B1 HERBICIDAL PYRIMIDONE DERIVATIVES DU PONT (US) 2016-12-28 EP disclosed
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES FMC CORPORATION 2016-01-28 US 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 (3 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 KDM4E 3129/4885ALDH1A1 1886/4885TDP1 803/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 KDM4E 3737/4885ALDH1A1 1015/4885TDP1 1249/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO KDM4E 3639/4885ALDH1A1 830/4885TDP1 1045/4885

“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.