SCHEMBL461957

SCHEMBL461957

CCOC=C(C(=O)c1cnc(-c2ccccc2)n(-c2ccccc2)c1=O)C(=O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 8/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
JUN P05412 2/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL461956 1.00 CSF1R (0.35) CSF1RHTTALDH1A1MAPTKDM4E
SCHEMBL1527905 0.75 MAPT (0.58) ALDH1A1MAPTKDM4ETSHRMEN1
SCHEMBL8817690 0.73 CCR6 (0.41) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL8817699 0.73 CCR6 (0.41) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL460735 0.73 GRIN2B (0.40) HTTALDH1A1MAPTKDM4EMEN1
SCHEMBL461803 0.70 HTT (0.49) HTTALDH1A1MAPTKDM4ETSHR
SCHEMBL8683752 0.68 KDM4E (0.40) ALDH1A1KDM4EGAALMNACYP2C9
SCHEMBL8491623 0.68 KDM4E (0.40) ALDH1A1KDM4EGAALMNACYP2C9
SCHEMBL9893973 0.68 NPC1 (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8892289 0.67 MAP2K1 (0.35) MEN1KMT2ASMN1; SMN2TP53

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 CSF1R 3729/4885HTT 2477/4885ALDH1A1 1886/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 CSF1R 1975/4885HTT 3986/4885ALDH1A1 1015/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO CSF1R 2344/4885HTT 3967/4885ALDH1A1 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.