SCHEMBL9894439

SCHEMBL9894439

CCOC(=O)c1cnc(-c2ccsc2)n(CCOC)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.50
FOS P01100 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
RECQL P46063 1/20 0.46
PKM P14618 1/20 0.43
GAA P10253 4/20 0.42
GLA P06280 4/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL9895278 0.88 ALDH1A1 (0.46) CHEK2FOSJUNNFKB1NFKB2
SCHEMBL456547 0.81 KDM4E (0.39) CHEK2FOSJUNNFKB1NFKB2
SCHEMBL9895612 0.81 HSD17B10 (0.45) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL24170703 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL7960592 0.69 SMN1; SMN2 (0.60) NFKB1NFKB2RELAKDM4EALDH1A1
SCHEMBL1989501 0.69 HSD17B10 (0.56) CHEK2FOSJUNNFKB1NFKB2
SCHEMBL9894331 0.68 MAPT (0.56) NFKB1NFKB2RELAKDM4EALDH1A1
SCHEMBL4026347 0.68 CDC7 (0.46) CHEK2FOSJUNNFKB1NFKB2
SCHEMBL9895127 0.68 CYP1A2 (0.47) ALDH1A1HPGDHSD17B10GLAMEN1
SCHEMBL7959390 0.68 KDM4E (0.55) NFKB1NFKB2RELAKDM4EALDH1A1

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 CHEK2 1986/4885FOS 2007/4885JUN 4149/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 CHEK2 740/4885FOS 3271/4885JUN 4729/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO CHEK2 743/4885FOS 3153/4885JUN 4704/4885

“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.