SCHEMBL3563719

SCHEMBL3563719

Nc1ccc(Oc2ccc(F)c(F)c2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 6/20 0.42
TEAD4 Q15561 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
PDE7A Q13946 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41

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
SCHEMBL13857891 0.82 NCOA1 (0.49) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL15512399 0.78 CES2 (0.39) MAPTKDM4EKDM1A
SCHEMBL21104547 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL14965170 0.76 MAOA (0.57) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL13857904 0.74 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL4374841 0.74 HSPB1 (0.58) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL1585043 0.73 PARP10 (0.61) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL23170641 0.73 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL16659208 0.72 MAOA (0.47) ALDH1A1TDP1TSHRCYP3A4MAOA
SCHEMBL22874622 0.72 TEAD4 (0.57) ALDH1A1TDP1TSHRCYP3A4MAOA

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
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
EP-1425276-B1 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2007-04-18 EP disclosed
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2006-09-14 US disclosed
US-7084163-B2 Heterocyclic carboxamides and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2006-08-01 US disclosed
US-20040152698-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2004-08-05 US disclosed
EP-1425276-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2004-06-09 EP disclosed
WO-2003006454-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2003-01-23 WO disclosed
EP-1275301-A1 Trisubstituted heterocyclic compounds and their use as fungicides Bayer CropScience S.A. (FR) 2003-01-15 EP 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-20040152698-A1 Heterocyclic carboxamides and their use as fungicides CYP1A2, CYP4X1, CYCS ALDH1A1 3137/4885TDP1 2440/4885TSHR 1821/4885
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides CYP4X1, CYP1A2, CYCS ALDH1A1 2827/4885TDP1 2646/4885TSHR 2117/4885

“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.