SCHEMBL9894400

SCHEMBL9894400

N#Cc1ccc(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 11/20 0.47
AR P10275 5/20 0.47
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
S1PR1 P21453 8/20 0.40
S1PR2 O95136 5/20 0.40
KCNJ11 Q14654 1/20 0.40
S1PR4 O95977 4/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL299598 0.90 KCNQ3 (0.39) S1PR3ARKCNQ3KCNQ2KCNE1
SCHEMBL297406 0.86 MAPT (0.51)
SCHEMBL3705809 0.84 KCNQ3 (0.38) S1PR3ARKCNQ3KCNQ2KCNE1
SCHEMBL299995 0.82 KCNQ3 (0.36) S1PR3ARKCNQ3KCNQ2KCNE1
SCHEMBL1767387 0.82 AR (0.37) S1PR3ARKCNQ3KCNQ2KCNE1
SCHEMBL28382542 0.81 EPHX2 (0.42) ARMRGPRX4
SCHEMBL1274348 0.81 KCNJ11 (0.42) KCNJ11
SCHEMBL1275827 0.81 JAK2 (0.43) KCNJ11
SCHEMBL3707169 0.81 MAPT (0.48)
SCHEMBL29360338 0.80 KMT2A (0.40) KCNJ11

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 8 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
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-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US 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
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 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 S1PR3 1437/4885AR 4140/4885KCNQ3 1237/4885

“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.