SCHEMBL9895426

SCHEMBL9895426

NCc1ccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ MAPT P10636 3/20 0.38
▸ PLAU P00749 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PLG P00747 3/20 0.37
▸ KLKB1 P03952 2/20 0.37
▸ PLAT P00750 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PTGS1 P23219 3/20 0.36
▸ KLK1 P06870 2/20 0.36
▸ KLK6 Q92876 2/20 0.36

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
SCHEMBL9894501 0.94 HDAC3 (0.48) HDAC3HDAC6NCOR2MAPTPLAU
SCHEMBL1275530 0.87 ALDH1A1 (0.44) HDAC3HDAC6NCOR2MAPTPLAU
SCHEMBL6743068 0.82 HDAC1 (0.37) HDAC3HDAC6MAPTNPSR1XBP1
SCHEMBL1274338 0.82 ALDH1A1 (0.39) HDAC3HDAC6NCOR2MAPTPLAU
SCHEMBL1275455 0.80 ALDH1A1 (0.46) HDAC3HDAC6NCOR2MAPTPLAU
SCHEMBL1767376 0.79 KCNK3 (0.54) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL1767141 0.79 MEN1 (0.52) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL31633835 0.78 MEN1 (0.45) MAPTNPSR1XBP1HDAC1MEN1
SCHEMBL3777934 0.77 KCNQ3 (0.33) MAPTNPSR1XBP1HDAC1PTGS1
SCHEMBL1766533 0.76 RXFP1 (0.43) MEN1NPC1RAB9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153497-A2 PESTICIDAL CARBOXAMIDES Bayer Cropscience AG (DE) 2017-04-12 — — EP disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 — — US disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 — — US 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-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC HDAC3 24/4885HDAC6 72/4885NCOR2 2097/4885

“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.

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