SCHEMBL4607970

SCHEMBL4607970

Cc1cc([N+](=O)[O-])c(C)cc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
TEAD1 P28347 3/20 0.44
PTGES O14684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SERPINE1 P05121 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5179247 0.88 ALDH1A1 (0.41) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6567167 0.84 MAPT (0.49) MAPTMEN1KMT2ATTRPPOX
SCHEMBL3301833 0.83 SERPINE1 (0.46) MAPTMEN1KMT2ATTRPPOX
SCHEMBL1340465 0.81 POLB (0.56) MAPTMEN1KMT2ATTRPPOX
SCHEMBL13881915 0.81 LMNA (0.55) MAPTMEN1KMT2ATTRPPOX
SCHEMBL3318989 0.81 SMN1; SMN2 (0.53) MAPTMEN1KMT2ATTRTDP1
SCHEMBL31556306 0.81 SMN1; SMN2 (0.53) MAPTMEN1KMT2ATTRTDP1
SCHEMBL4097144 0.79 L3MBTL1 (0.52) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL20564139 0.78 SMN1; SMN2 (0.39) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL29149366 0.78 PTGES (0.55) MAPTMEN1KMT2ATTRPPOX

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 11 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
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-6656967-B2 Aromatic fungicide compound containing N=C-G group wherein G= O, S, S=O, S(O)2 or N(NRR') BAYER CROPSCIENCE SA (FR) 2003-12-02 US disclosed
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 EP disclosed
US-20020151524-A1 Fungicidal phenylimidate derivatives AVENTIS CROPSCIENCE S.A. 2002-10-17 US disclosed
US-20020103168-A1 Fungicide phenylimine derivatives AVENTIS CROPSCIENCE S.A. 2002-08-01 US disclosed
EP-1178036-A1 Fungicidal phenylimidate derivatives 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-20020151524-A1 Fungicidal phenylimidate derivatives CYP51A1, NOX3, CAT MAPT 2084/4885MEN1 2187/4885KMT2A 1844/4885
US-20020103168-A1 Fungicide phenylimine derivatives PAH, CYP1A1, CAT MAPT 2304/4885MEN1 1349/4885KMT2A 1210/4885

“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.