SCHEMBL462161

SCHEMBL462161

CCn1ncc(C(=O)c2cnc(-c3ccccc3)n(Cc3ccccc3)c2=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 1/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
BRD4 O60885 1/20 0.39
HPGD P15428 1/20 0.39
EGLN1 Q9GZT9 9/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGDS O60760 1/20 0.37

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
SCHEMBL9894694 0.81 ALDH1A1 (0.52) KDM4ELMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL461567 0.80 PTGS2 (0.40) KDM4ELMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL462890 0.77 KDM4E (0.41) KDM4ELMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL9894331 0.77 MAPT (0.56) KDM4ELMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL11768659 0.74 KDM4E (0.50) KDM4ELMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL454334 0.73 ALDH1A1 (0.40) KDM4ELMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL27524777 0.72 LMNA (0.44) LMNARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL456136 0.69 MAPT (0.52) KDM4ELMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL7949489 0.69 SMN1; SMN2 (0.37) LMNARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7951276 0.67 LMNA (0.38) KDM4ELMNARAB9ASMN1; SMN2ALDH1A1

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 KDM4E 3129/4885LMNA 3944/4885RAB9A 2193/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 KDM4E 3737/4885LMNA 4430/4885RAB9A 2164/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO KDM4E 3639/4885LMNA 4326/4885RAB9A 2039/4885

“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.