SCHEMBL9895322

SCHEMBL9895322

Cc1c(F)cccc1-n1c(-c2ccccc2)ncc(C(=O)OC2=CC(=O)CCC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32

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 0.83 MAPT (0.37) MAPTKDM4EKMT2AALDH1A1MYC
SCHEMBL9894289 0.80 NOTUM (0.44) KDM4EALDH1A1MYC
SCHEMBL16632631 0.80 CA1 (0.39) MAPTKDM4EALDH1A1NPSR1
SCHEMBL9895124 0.77 G6PD (0.41) MAPTKMT2AALDH1A1
SCHEMBL9894267 0.75 ALDH1A1 (0.40) MAPTKDM4ELMNAKMT2AALDH1A1
SCHEMBL15570307 0.68 TP53 (0.44) MAPTLMNAKMT2AALDH1A1
SCHEMBL16632740 0.66 MAPT (0.52) MAPTKDM4ELMNAKMT2AALDH1A1
SCHEMBL29489592 0.66 MAPT (0.52) MAPTKDM4ELMNAKMT2AALDH1A1
SCHEMBL28081745 0.66 AVPR2 (0.49) MAPTKDM4EKMT2AALDH1A1
SCHEMBL1372778 0.64 MET (0.44)

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 MAPT 4805/4885KDM4E 3129/4885LMNA 3944/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 MAPT 4761/4885KDM4E 3737/4885LMNA 4430/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO MAPT 4753/4885KDM4E 3639/4885LMNA 4326/4885

“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.