SCHEMBL9895124

SCHEMBL9895124

O=C1C=C(OC(=O)c2cnc(-c3cccnc3)n(-c3ccccc3)c2=O)CCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.41
MAPT P10636 8/20 0.40
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TYRO3 Q06418 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1527903 0.92 MAPT (0.37) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL16632631 0.82 CA1 (0.39) MAPTALDH1A1POLB
SCHEMBL9894437 0.79 MAPT (0.50) G6PDMAPTNPC1RAB9AALDH1A1
SCHEMBL9893973 0.79 NPC1 (0.59) G6PDMAPTMAPK1NPC1RAB9A
SCHEMBL29288019 0.77 MAPT (0.48) G6PDMAPTALDH1A1TYRO3L3MBTL1
SCHEMBL30672492 0.77 MAPT (0.48) G6PDMAPTALDH1A1TYRO3L3MBTL1
SCHEMBL9895322 0.77 MAPT (0.35) MAPTALDH1A1KMT2A
SCHEMBL1372778 0.76 MET (0.44)
SCHEMBL455086 0.76 MAPT (0.42) G6PDMAPTALDH1A1TYRO3MEN1
SCHEMBL9894267 0.75 ALDH1A1 (0.40) MAPTRAB9AALDH1A1MEN1KMT2A

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 7 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
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 G6PD 1885/4885MAPT 4805/4885MAPK1 1709/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 G6PD 151/4885MAPT 4761/4885MAPK1 1973/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO G6PD 133/4885MAPT 4753/4885MAPK1 1843/4885

“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.