SCHEMBL3329635

SCHEMBL3329635

Cc1nnc(-c2cc(N)c(Cl)c(C(=O)O)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
COPS5 Q92905 1/20 0.31
HSD11B1 P28845 2/20 0.31
LMNA P02545 1/20 0.31
DAO P14920 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
SCHEMBL3324972 0.86 KDM4E (0.39) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL3329971 0.80 TDP1 (0.36) TDP1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL2469523 0.78 NPC1 (0.44) TDP1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL3330567 0.78 KDM4A (0.48) TDP1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL27529557 0.75 TDP1 (0.36) TDP1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL27503178 0.74 TDP1 (0.37) TDP1CYP3A4SMN1; SMN2ALDH1A1MEN1
SCHEMBL2470409 0.74 HSP90AA1 (0.41) TDP1HPGD
SCHEMBL3331687 0.74 TDP1 (0.35) TDP1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL2465973 0.74 KDM4E (0.47) TDP1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL2466247 0.73 DHODH (0.49) TDP1SMN1; SMN2ALDH1A1KDM4EHPGD

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 8 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
EP-1414814-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2004-05-06 EP disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 US disclosed
WO-2003011853-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2003-02-13 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 TDP1 281/4885CYP3A4 244/4885SMN1; SMN2 520/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT TDP1 3914/4885CYP3A4 359/4885SMN1; SMN2 4252/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 TDP1 281/4885CYP3A4 244/4885SMN1; 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.