Sugi Predict

Sugi Predict / Compounds / SCHEMBL998644

SCHEMBL998644

SCHEMBL998644

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.46
▸ KCNJ11 Q14654 3/20 0.41
▸ PLAU P00749 2/20 0.41
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ F2 P00734 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ BLK P51451 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
SCHEMBL12950948 0.88 DHODH (0.36) DHODHKCNJ11PLAUMAPTKDM4E
SCHEMBL12951216 0.87 MAPT (0.38) DHODHKCNJ11PLAUMAPTKDM4E
SCHEMBL1499739 0.84 PLAU (0.43) KCNJ11PLAUMAPTKDM4EALDH1A1
SCHEMBL1275542 0.83 TRPA1 (0.39) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL1274554 0.82 TRPA1 (0.48) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL9895290 0.82 MAPT (0.37) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL9895262 0.82 MAPT (0.37) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL1275206 0.82 MAPT (0.39) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL13516202 0.81 NPC1 (0.39) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL13558405 0.80 LMNA (0.35) DHODHPLAUHPGDMEN1KMT2A

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 9 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-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
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 DHODH 750/4885KCNJ11 2296/4885PLAU 4438/4885

“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.