SCHEMBL998882

SCHEMBL998882

O=C(Cl)c1ccc2nc(C(F)(F)F)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
MGLL Q99685 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HSD17B14 Q9BPX1 2/20 0.37
NT5E P21589 1/20 0.36
SCN9A Q15858 9/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
BACE1 P56817 1/20 0.36
P2RX3 P56373 1/20 0.35
SCN10A Q9Y5Y9 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL29518583 0.85 SMN1; SMN2 (0.51) CNR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL538271 0.85 SMN1; SMN2 (0.51) CNR2SMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL998884 0.84 SMN1; SMN2 (0.50) CNR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL3814202 0.84 LCK (0.46) CNR2MGLLBACE1
SCHEMBL537429 0.80 HTT (0.56) SMN1; SMN2SCN9ASCN10AKDM4EALDH1A1
SCHEMBL909531 0.78 CA12 (0.43) CNR2MGLLSCN9ASCN7AKCNH2
SCHEMBL997513 0.76 HPGD (0.41) CNR2MGLLHSD17B14BACE1HTT
SCHEMBL1000348 0.75 CYP1A2 (0.53) KDM4ELMNA
SCHEMBL9187764 0.74 ESR2 (0.50) HSD17B14NT5EKCNH2BACE1KDM4E
SCHEMBL30106726 0.74 NT5E (0.45) NT5EBACE1P2RX3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456759-B1 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-04-19 EP disclosed
EP-2456759-B1 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-04-19 EP disclosed
US-8822691-B2 Pesticidal carboxamides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-8822691-B2 Pesticidal carboxamides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-8822691-B2 Pesticidal carboxamides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-20120277185-A1 Pesticidal Carboxamides BAYER CROPSCIENDE AG (DE) 2012-11-01 US disclosed
US-20120277185-A1 Pesticidal Carboxamides BAYER CROPSCIENDE AG (DE) 2012-11-01 US disclosed
US-20120277185-A1 Pesticidal Carboxamides BAYER CROPSCIENDE AG (DE) 2012-11-01 US disclosed
CN-102548967-A Pesticidal carboxamides BAYER CROPSCIENCE AG 2012-07-04 CN disclosed
EP-2456759-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-05-30 EP disclosed
WO-2011009540-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-01-27 WO disclosed
WO-2011009540-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-01-27 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-20120277185-A1 Pesticidal Carboxamides DDT, ACHE, AADAC CNR2 32/4885MGLL 393/4885SMN1; SMN2 2278/4885

“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.