SCHEMBL454334

SCHEMBL454334

O=C1CCCC(O)=C1C(=O)c1cnc(-c2ccccc2)n(Cc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
EGLN1 Q9GZT9 8/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HPGDS O60760 1/20 0.37
BRD4 O60885 1/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 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
SCHEMBL454628 0.85 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2RAB9AHSD17B10MEN1
SCHEMBL455164 0.82 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2RAB9AHSD17B10MEN1
SCHEMBL457304 0.82 TDP1 (0.39) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL454360 0.82 HTT (0.43) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL12487741 0.81 SMN1; SMN2 (0.35) ALDH1A1LMNASMN1; SMN2RAB9AHSD17B10
SCHEMBL454465 0.78 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2RAB9AHSD17B10
SCHEMBL9894694 0.78 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2RECQLRAB9A
SCHEMBL3051026 0.78 L3MBTL1 (0.50) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL455598 0.75 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2RAB9AMEN1
SCHEMBL9895903 0.75 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2RAB9AHSD17B10MEN1

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 ALDH1A1 1886/4885LMNA 3944/4885SMN1; SMN2 2374/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 ALDH1A1 1015/4885LMNA 4430/4885SMN1; SMN2 2929/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO ALDH1A1 830/4885LMNA 4326/4885SMN1; SMN2 2757/4885

“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.