SCHEMBL469635

SCHEMBL469635

Cc1cc(C)c(-c2c(O)c(C)nn(C)c2=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
CRHR1 P34998 6/20 0.37
CDK8 P49336 1/20 0.36
ACVR1 Q04771 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.33
PARP1 P09874 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 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
SCHEMBL3789703 0.89 MAPK8 (0.38) HPGDCDK8ACVR1MAPTLMNA
SCHEMBL16642353 0.88 CRHR1 (0.38) KDM4EHPGDCRHR1CDK8ACVR1
SCHEMBL513119 0.86 KDM4E (0.33) KDM4EHPGDCRHR1CDK8ACVR1
SCHEMBL466412 0.83 MAPT (0.36) HPGDCRHR1CDK8ACVR1MAPT
SCHEMBL15341124 0.81 KDM4E (0.36) KDM4EHPGDCRHR1MAPTLMNA
SCHEMBL15344226 0.81 KDM4E (0.38) KDM4EHPGDCRHR1MAPTLMNA
SCHEMBL919364 0.81 MAPT (0.38) HPGDCDK8ACVR1MAPTLMNA
SCHEMBL17224756 0.81 PIM3 (0.32) KDM4EHPGDALDH1A1
SCHEMBL17224782 0.81 ALDH1A1 (0.36) KDM4EHPGDMAPTALDH1A1
SCHEMBL17224781 0.81 CSNK2A2 (0.41) MAPTPOLBTP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014031971-A1 HERBICIDAL PYRIDAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-27 WO disclosed
US-20140024527-A1 HERBICIDAL PYRAZINONES E I DU DE NEMOURS AND COMPANY (US) 2014-01-23 US disclosed
US-20140024527-A1 HERBICIDAL PYRAZINONES E I DU DE NEMOURS AND COMPANY (US) 2014-01-23 US disclosed
WO-2012148622-A1 HERBICIDAL PYRAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-01 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20140024527-A1 HERBICIDAL PYRAZINONES CYP1B1, CBR3, CYP1A1 KDM4E 3220/4885HPGD 659/4885CRHR1 2542/4885

“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.