SCHEMBL9894423

SCHEMBL9894423

CCOC(=O)c1cnc(-c2ccccc2)n(C2CCCCC2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KDM4E B2RXH2 4/20 0.54
OGFRL1 Q5TC84 4/20 0.53
OPRM1 P35372 3/20 0.53
OPRK1 P41145 3/20 0.53
OPRD1 P41143 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 2/20 0.49
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE7A Q13946 1/20 0.48
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 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
SCHEMBL9894748 0.85 OPRM1 (0.45) KDM4EOGFRL1OPRM1OPRK1OPRD1
SCHEMBL24170382 0.79 KDM4E (0.47) MAPTKDM4EOGFRL1OPRM1OPRK1
SCHEMBL1527905 0.79 MAPT (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL1527832 0.79 GAA (0.39) MAPTOGFRL1OPRM1OPRK1OPRD1
SCHEMBL7169413 0.76 TDP1 (0.60) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4284918 0.76 OGFRL1 (0.53) MAPTKDM4EOGFRL1OPRM1OPRK1
SCHEMBL7960592 0.75 SMN1; SMN2 (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL18117040 0.75 ALDH1A1 (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL462187 0.75 ALDH1A1 (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL454465 0.74 ALDH1A1 (0.37) MAPTKDM4EOGFRL1OPRM1OPRK1

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 8 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
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 3129/4885OGFRL1 641/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 MAPT 4761/4885KDM4E 3737/4885OGFRL1 2472/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO MAPT 4753/4885KDM4E 3639/4885OGFRL1 2687/4885

“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.