SCHEMBL16014641

SCHEMBL16014641

CCOC(=O)c1cc(OCC(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
PDE4B Q07343 2/20 0.38
HSD11B1 P28845 1/20 0.38
KCNH2 Q12809 4/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
JMJD6 Q6NYC1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
GCK P35557 4/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL31060067 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2PDE4BHSD11B1KCNH2
SCHEMBL29970862 0.86 TRPA1 (0.36) JMJD6GCK
SCHEMBL16014767 0.86 TRPA1 (0.36) KCNH2GCK
SCHEMBL16014619 0.86 TRPA1 (0.36) JMJD6GCK
SCHEMBL25702840 0.86 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2PDE4BHSD11B1NPC1
SCHEMBL30234432 0.86 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2PDE4BHSD11B1NPC1
SCHEMBL1762653 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PDE4BHSD11B1NPC1
SCHEMBL3190767 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PDE4BHSD11B1KCNH2
SCHEMBL25275622 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PDE4BHSD11B1NPC1
SCHEMBL30466605 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PDE4BHSD11B1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9609868-B2 Alkoximino-substituted anthranilic acid diamides as pesticides BAYER CROPSCIENCE AG (DE) 2017-04-04 US disclosed
US-20160007603-A1 ALKOXIMINO-SUBSTITUTED ANTHRANILIC ACID DIAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2016-01-14 US disclosed
EP-2964629-A1 ALKOXIMINO-SUBSTITUTED ANTHRANILIC ACID DIAMIDES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-01-13 EP disclosed
WO-2014135588-A1 ALKOXIMINO-SUBSTITUTED ANTHRANILIC ACID DIAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-09-12 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-20160007603-A1 ALKOXIMINO-SUBSTITUTED ANTHRANILIC ACID DIAMIDES AS PESTICIDES ANTXR2, DDT, DAO ALDH1A1 670/4885SMN1; SMN2 3250/4885PDE4B 469/4885

“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.