SCHEMBL461567

SCHEMBL461567

CCn1ncc(C(=O)c2cnc(-c3ccccc3)n(Cc3ccccc3)c2=O)c1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
FPR1 P21462 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS1 P23219 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 4/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.34
RORC P51449 1/20 0.34
RECQL P46063 1/20 0.33
MAPK14 Q16539 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
SCHEMBL462161 0.80 KDM4E (0.43) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9894694 0.72 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9894331 0.71 MAPT (0.56) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL462890 0.70 KDM4E (0.41) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL8129283 0.67 NR3C1 (0.32) ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL11768659 0.66 KDM4E (0.50) ALDH1A1POLBKDM4ELMNATP53
SCHEMBL7989306 0.66 KDM4E (0.37) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL8307541 0.65 BDKRB1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL6724234 0.65 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL8303291 0.64 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2

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 PTGS2 907/4885FPR1 615/4885ALDH1A1 1886/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 PTGS2 691/4885FPR1 611/4885ALDH1A1 1015/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO PTGS2 628/4885FPR1 610/4885ALDH1A1 830/4885

“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.