SCHEMBL1814835

SCHEMBL1814835

Cc1cc(C(O)C(F)(F)F)cc(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
HTR7 P34969 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP11B2 P19099 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15791947 0.81 HTR7 (0.36) HTR7CYP11B2
SCHEMBL19136175 0.79 CYP3A4 (0.43) ALDH1A1CYP3A4POLBHTR7CYP11B2
SCHEMBL19179645 0.79 CYP3A4 (0.42) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL22326117 0.78 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL13711018 0.76 CES2 (0.35) HTR7
SCHEMBL14321440 0.76 ALDH1A1 (0.36) ALDH1A1TSHRPOLBHTR7SMN1; SMN2
SCHEMBL19179701 0.75 ADRB2 (0.46) ALDH1A1CYP3A4TSHRSMN1; SMN2KDM4E
SCHEMBL19181766 0.75 ADRB2 (0.46) ALDH1A1CYP3A4TSHRSMN1; SMN2KDM4E
SCHEMBL1814995 0.75 GAA (0.41)
SCHEMBL18518450 0.75 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102177135-A Acylaminobenzamide derivatives BAYER CROPSCIENCE AG 2011-09-07 CN disclosed
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
EP-2318358-A2 ACYLAMINOBENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 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-20110201603-A1 Novel Acylaminobenzamide Derivatives KCNB1, KCNA5, KCNA7 ALDH1A1 271/4885TP53 3513/4885CYP3A4 282/4885

“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.