SCHEMBL9894428

SCHEMBL9894428

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
KMT2A Q03164 2/20 0.57
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL14563025 0.96 POLB (0.57) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL299163 0.96 KMT2A (0.60) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL298165 0.93 POLB (0.66) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17399561 0.89 ALDH1A1 (0.46) POLBKMT2AMAPTALDH1A1
SCHEMBL9944023 0.86 ALDH1A1 (0.52) MAPTALDH1A1L3MBTL1
SCHEMBL1275752 0.86 ALDH1A1 (0.44) POLBKMT2AMAPTALDH1A1
SCHEMBL1275123 0.85 ALDH1A1 (0.44) POLBKMT2AMAPTALDH1A1
SCHEMBL31633659 0.85 MAPT (0.59) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL298367 0.85 POLB (0.43) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL9894411 0.84 ALDH1A1 (0.43) POLBKMT2AMAPTALDH1A1

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 POLB 4642/4885KMT2A 183/4885MAPT 4596/4885

“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.