SCHEMBL3330104

SCHEMBL3330104

Cc1nnc(-c2cc(N)c(Cl)c(C(=O)O)n2)o1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NOTUM Q6P988 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL27503178 0.74 TDP1 (0.37) TDP1CYP3A4MEN1KMT2AHCAR2
SCHEMBL2465146 0.74 RAB9A (0.45) TDP1MEN1KMT2ANPC1RAB9A
SCHEMBL2466247 0.73 DHODH (0.49) TDP1MEN1KMT2AKDM4E
SCHEMBL3329635 0.73 TDP1 (0.36) TDP1CYP3A4MEN1KMT2ANPC1
SCHEMBL1424317 0.73 TDP1 (0.47) TDP1CYP3A4MEN1KMT2AHCAR2
SCHEMBL2469523 0.72 NPC1 (0.44) TDP1CYP3A4MEN1KMT2ANPC1
SCHEMBL3330567 0.72 KDM4A (0.48) TDP1CYP3A4NPC1RAB9AKDM4E
SCHEMBL27521894 0.72 FTO (0.46)
SCHEMBL2470066 0.71 ALPL (0.46) CA9TDP1NPC1RAB9AKDM4E
SCHEMBL2465852 0.71 PPARA (0.38) TDP1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 CA12 711/4885CA1 346/4885CA2 339/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CA12 2758/4885CA1 2026/4885CA2 746/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CA12 711/4885CA1 346/4885CA2 339/4885

“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.