SCHEMBL9894331

SCHEMBL9894331

CCOC(=O)c1cnc(-c2ccccc2)n(Cc2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
KDM4E B2RXH2 5/20 0.56
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 6/20 0.51
ALDH1A1 P00352 6/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
CYP19A1 P11511 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 2/20 0.50
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL7960592 0.86 SMN1; SMN2 (0.60) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL9894694 0.84 ALDH1A1 (0.52) KDM4ESMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL7959390 0.84 KDM4E (0.55) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL456136 0.84 MAPT (0.52) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL7293735 0.83 KDM4E (0.54) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL6558284 0.82 KDM4E (0.53) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL462890 0.81 KDM4E (0.41) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL31558583 0.81 KDM4E (0.51) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL1527905 0.80 MAPT (0.58) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL9894267 0.78 ALDH1A1 (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA

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 9 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
CN-102596933-B Herbicidal pyrimidone derivatives DU PONT 2014-09-17 CN disclosed
CN-102596933-A Herbicidal pyrimidone derivatives DU PONT 2012-07-18 CN disclosed
US-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES FMC CORPORATION 2012-06-14 US 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 MAPT 4805/4885KDM4E 3129/4885TSHR 552/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 MAPT 4761/4885KDM4E 3737/4885TSHR 687/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO MAPT 4753/4885KDM4E 3639/4885TSHR 982/4885

“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.