SCHEMBL423797

SCHEMBL423797

O=C(Cc1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 1/20 0.62
DDR1 Q08345 1/20 0.56
NR4A2 P43354 2/20 0.55
CES2 O00748 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
USP2 O75604 2/20 0.52
CYP3A4 P08684 2/20 0.52
NR1I2 O75469 1/20 0.52
ADRB1 P08588 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
CHRM3 P20309 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2A P28223 1/20 0.52

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
SCHEMBL6970291 0.92 CES2 (0.61) MEN1KMT2AMAPTDDR1NR4A2
SCHEMBL423798 0.90 DDR1 (0.59) MEN1KMT2AMAPTDDR1NR4A2
SCHEMBL11276189 0.88 MEN1 (0.60) MEN1KMT2AMAPTNR4A2CES2
SCHEMBL3210296 0.87 TACR1 (0.55) MEN1KMT2AMAPTDDR1CES2
SCHEMBL4024081 0.86 MEN1 (0.51) MEN1KMT2AMAPTNR4A2CES2
SCHEMBL28423545 0.84 FFAR4 (0.53) MEN1KMT2AMAPTNR4A2CES2
SCHEMBL25046251 0.84 CYP26A1 (0.58) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL3028341 0.84 MEN1 (0.49) MEN1KMT2AMAPTNR4A2CES2
SCHEMBL10900761 0.83 MEN1 (0.66) MEN1KMT2AMAPTNR4A2ALDH1A1
SCHEMBL30235602 0.83 MEN1 (0.66) MEN1KMT2AMAPTNR4A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
EP-2414332-B1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-10-23 EP disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-5342851-A Useful in methods of treating reperfusion thrombosis injury MCNEIL-PPC, INC. (US) 1994-08-30 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-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B MEN1 2796/4885KMT2A 4025/4885MAPT 1518/4885

“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.