SCHEMBL3318989

SCHEMBL3318989

Cc1cc([N+](=O)[O-])c(C)cc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
TTR P02766 1/20 0.49
ALB P02768 1/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 3/20 0.48
HTR6 P50406 1/20 0.48
HPSE Q9Y251 1/20 0.46
HSD17B10 Q99714 2/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TSHR P16473 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL31556306 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL10959848 0.89 HTR6 (0.52) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL16792636 0.86 CYP1A2 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL21295414 0.86 ALDH1A1 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL20521348 0.86 TDP1 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL10424841 0.84 ALDH1A1 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL3322580 0.84 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL28356695 0.83 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL5323737 0.83 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL20564139 0.82 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136629-B1 PHENOXYPHENYLAMIDINES AS FUNGICIDES BAYER IP GMBH (DE) 2015-05-13 EP disclosed
US-8519003-B2 Phenoxyphenylamidines as fungicides BAYER CROPSCIENCE AG (DE) 2013-08-27 US disclosed
US-20100105552-A1 PHENOXYPHENYLAMIDINES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-04-29 US disclosed
EP-2136629-A1 PHENOXYPHENYLAMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-30 EP disclosed
WO-2008110313-A1 PHENOXYPHENYLAMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-18 WO disclosed
EP-1969930-A1 Phenoxy phenylamidines and their use as fungicides Bayer CropScience AG (DE) 2008-09-17 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 (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-20100105552-A1 PHENOXYPHENYLAMIDINES AS FUNGICIDES DDT, PAH, PFAS SMN1; SMN2 4248/4885CYP1A2 7/4885CYP2C9 13/4885

“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.