SCHEMBL16389693

SCHEMBL16389693

COC(=O)c1ncc(C(F)(F)F)cc1CBr

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
NOTUM Q6P988 1/20 0.42
CFTR P13569 2/20 0.41
AGBL2 Q5U5Z8 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL16346244 0.86 L3MBTL1 (0.45) SMN1; SMN2AGBL2ALDH1A1MAPTGAA
SCHEMBL31233701 0.81 NOTUM (0.49) SMN1; SMN2MAPK1NOTUMCFTRAGBL2
SCHEMBL30849372 0.81 KDM4E (0.40) SMN1; SMN2MAPK1AGBL2LMNAALDH1A1
SCHEMBL30481800 0.80 AGBL2 (0.50) SMN1; SMN2MAPK1NOTUMCFTRAGBL2
SCHEMBL16389694 0.80 AGBL2 (0.50) SMN1; SMN2MAPK1NOTUMCFTRAGBL2
SCHEMBL22208505 0.79 MAPK1 (0.47) SMN1; SMN2MAPK1NOTUMCFTRAGBL2
SCHEMBL30745103 0.79 CYP4F2 (0.40) MAPK1LMNAALDH1A1MAPTKDM4E
SCHEMBL289465 0.79 CYP4F2 (0.40) MAPK1LMNAALDH1A1MAPTKDM4E
SCHEMBL24391510 0.78 AGBL2 (0.49) SMN1; SMN2MAPK1NOTUMCFTRAGBL2
SCHEMBL30402328 0.78 ALDH1A1 (0.40) SMN1; SMN2MAPK1LMNAALDH1A1MAPT

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
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
EP-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed
US-20160255837-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-08 US disclosed
US-20160255837-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-08 US disclosed
WO-2015000715-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-01-08 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-20160255837-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, SCLY SMN1; SMN2 1669/4885MAPK1 4388/4885NOTUM 448/4885

“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.