SCHEMBL4608873

SCHEMBL4608873

Cc1cc(Oc2cccc(C(F)(F)F)c2)c(C)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
NPSR1 Q6W5P4 4/20 0.55
TEAD1 P28347 3/20 0.51
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ADORA2A P29274 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
F10 P00742 1/20 0.42
ATM Q13315 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL5178099 0.87 CYP3A4 (0.43) MAPTL3MBTL1NPSR1TEAD1RAB9A
SCHEMBL24497305 0.82 TEAD1 (0.53) MAPTL3MBTL1NPSR1TEAD1RAB9A
SCHEMBL2748096 0.82 L3MBTL1 (0.55) MAPTL3MBTL1NPSR1TEAD1RAB9A
SCHEMBL24155484 0.82 MAPT (0.50) MAPTL3MBTL1NPSR1TEAD1RAB9A
SCHEMBL3303072 0.81 L3MBTL1 (0.44) MAPTL3MBTL1NPSR1TEAD1RAB9A
SCHEMBL6490361 0.81 L3MBTL1 (0.47) MAPTL3MBTL1NPSR1TEAD1RAB9A
SCHEMBL29504903 0.80 TEAD1 (0.60) MAPTL3MBTL1NPSR1TEAD1ALDH1A1
SCHEMBL22719737 0.80 TEAD1 (0.60) MAPTL3MBTL1NPSR1TEAD1ALDH1A1
SCHEMBL7952610 0.80 F10 (0.51) MAPTL3MBTL1NPSR1TEAD1RAB9A
SCHEMBL22719531 0.79 TEAD1 (0.59) MAPTL3MBTL1NPSR1TEAD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178035-B1 Fungicidal phenylimine derivatives BAYER CROPSCIENCE SA (FR) 2008-07-30 EP disclosed
EP-1178039-B1 Derivatives of phenyl(thio)urea and phenyl(thio)carbamate fungicides BAYER CROPSCIENCE SA (FR) 2007-04-11 EP disclosed
US-6933307-B2 Fungicidal phenylimine derivatives BAYER CROPSCIENCE SA (FR) 2005-08-23 US disclosed
US-6893650-B1 N2-phenylamidine derivatives BAYER CROPSCIENCE GMBH (DE) 2005-05-17 US disclosed
EP-1178037-B1 Fungicidal phenylimidate derivatives BAYER CROPSCIENCE SA (FR) 2005-01-05 EP disclosed
US-6696487-B2 FOR COMBATING THE PHYTOPATHOGENIC FUNGI OF CROPS BAYER CROPSCIENCE S.A. (FR) 2004-02-24 US disclosed
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 EP disclosed
US-20030008884-A1 Fungicidal phenyl (thio) urea and phenyl (thio) carbamate derivatives AVENTIS CROPSCIENCE S.A. 2003-01-09 US disclosed
US-20020103168-A1 Fungicide phenylimine derivatives AVENTIS CROPSCIENCE S.A. 2002-08-01 US disclosed
EP-1180512-A1 Fungicidal phenylimine derivatives AVENTIS CROPSCIENCE S.A. (FR) 2002-02-20 EP disclosed
EP-1178037-A1 Fungicidal phenylimidate derivatives AVENTIS CROPSCIENCE S.A. (FR) 2002-02-06 EP disclosed
EP-1178036-A1 Fungicidal phenylimidate derivatives AVENTIS CROPSCIENCE S.A. (FR) 2002-02-06 EP disclosed
EP-1178035-A1 Fungicidal phenylimine derivatives AVENTIS CROPSCIENCE S.A. (FR) 2002-02-06 EP disclosed
EP-1178039-A1 Derivatives of phenyl(thio)urea and phenyl(thio)carbamate fungicides AVENTIS CROPSCIENCE S.A. (FR) 2002-02-06 EP disclosed
EP-1150944-A1 N2-PHENYLAMIDINE DERIVATIVES Aventis CropScience GmbH (DE) 2001-11-07 EP disclosed
WO-2000046184-A1 N2-PHENYLAMIDINE DERIVATIVES AVENTIS CROPSCIENCE GMBH (FR) 2000-08-10 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 (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-20030008884-A1 Fungicidal phenyl (thio) urea and phenyl (thio) carbamate derivatives NAT1, CAT, TPMT MAPT 506/4885L3MBTL1 2329/4885NPSR1 4438/4885
US-20020103168-A1 Fungicide phenylimine derivatives PAH, CYP1A1, CAT MAPT 2304/4885L3MBTL1 2427/4885NPSR1 3732/4885

“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.