SCHEMBL3327042

SCHEMBL3327042

COC(=O)c1nc(-c2ccc(C)cc2)c(F)c(N)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
RAB9A P51151 5/20 0.47
HSD17B10 Q99714 4/20 0.45
PKM P14618 4/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2466420 0.88 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL2466877 0.87 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2RAB9APKM
SCHEMBL2465154 0.85 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9APKM
SCHEMBL2471294 0.85 PLAU (0.47) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL16127148 0.84 CA12 (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL18652665 0.82 CFTR (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL2464670 0.81 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL1917389 0.80 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2RAB9APKM
SCHEMBL16075510 0.79 LMNA (0.51) ALDH1A1KDM4ESMN1; SMN2RAB9APKM
SCHEMBL20727079 0.79 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
US-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885KDM4E 4579/4885SMN1; SMN2 520/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT ALDH1A1 713/4885KDM4E 969/4885SMN1; SMN2 4252/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885KDM4E 4579/4885SMN1; SMN2 520/4885

“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.