SCHEMBL9890797

SCHEMBL9890797

NC(=O)C(F)(F)c1ccccc1-c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 9/20 0.49
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SLC9A1 P19634 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GRM2 Q14416 1/20 0.37
PARP1 P09874 1/20 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
SCHEMBL30087649 0.85 KCNN4 (0.59) KCNN4KCNE1KCNQ1ALDH1A1MAPT
SCHEMBL2393250 0.84 AKR1C3 (0.46) KCNN4KCNE1KCNQ1AKR1C3AKR1C2
SCHEMBL2393825 0.80 BCAT2 (0.48) KCNN4KCNE1KCNQ1ALDH1A1HPGD
SCHEMBL2390403 0.76 KCNN4 (0.45) KCNN4SLC9A1PARP1
SCHEMBL30087635 0.75 KCNN4 (0.45) KCNN4KCNE1KCNQ1
SCHEMBL30087702 0.75 LMNA (0.46) KCNN4KCNE1KCNQ1SLC9A1ALDH1A1
SCHEMBL2393385 0.74 TAAR1 (0.42) AKR1C3AKR1C2ALDH1A1MAPTL3MBTL1
SCHEMBL27925987 0.74 KCNN4 (0.49) KCNN4AKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL30087647 0.73 ALDH1A1 (0.45) KCNN4KCNE1KCNQ1ALDH1A1MAPT
SCHEMBL28818860 0.72 KCNN4 (0.51) KCNN4AKR1C3AKR1C2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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 (2 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 KCNN4 256/4885KCNE1 91/4885KCNQ1 117/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 KCNN4 256/4885KCNE1 91/4885KCNQ1 117/4885

“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.